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May 10, 2024 08:57
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(partial) EasyBuild log for failed build of /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/files_pr19310/g/GAMESS-US/GAMESS-US-20230930-R2-gompi-2022a.eb (PR(s) #19310) (easyblock PR(s) #3047)
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| 481 | CALL RSM_DARE(NSHEL0A, 1 ,578,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:482:72: | |
| 482 | CALL RSM_DARE(NQMT0A , 1 ,579,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:483:72: | |
| 483 | CALL RSM_DARE(JABS , 1 ,580,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:484:22: | |
| 484 | CALL RSM_DARE(QMTTOL , 1 ,581,0) | |
| | 1 | |
| Warning: Rank mismatch in argument v at (1) (rank-1 and scalar) | |
| rsmstop.f:495:72: | |
| 495 | CALL RSM_DARE(KSTRT0A ,MXS ,582,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:496:72: | |
| 496 | CALL RSM_DARE(KATM0A ,MXS ,583,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:497:72: | |
| 497 | CALL RSM_DARE(KTYP0A ,MXS ,584,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:498:72: | |
| 498 | CALL RSM_DARE(KNG0A ,MXS ,585,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:499:72: | |
| 499 | CALL RSM_DARE(KLOC0A ,MXS ,586,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:500:72: | |
| 500 | CALL RSM_DARE(KMIN0A ,MXS ,587,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:501:72: | |
| 501 | CALL RSM_DARE(KMAX0A ,MXS ,588,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:504:72: | |
| 504 | CALL RSM_DARE(KATM_QMT0A,MXS ,591,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:510:72: | |
| 510 | CALL RSM_DARE(MXANG_ABS ,1 ,602,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:828:72: | |
| 828 | CALL RSM_DAWR(INFOMAT, 9,511,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:829:72: | |
| 829 | CALL RSM_DAWR(I1 , NAT,518,0) ! IAN | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:830:72: | |
| 830 | CALL RSM_DAWR(I2 , NAT,519,0) ! IZCORE | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:781:72: | |
| 781 | CALL RSM_DARE(INFOMAT,9,511,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:794:72: | |
| 794 | CALL RSM_DARE(IAN , NAT,518,0) ! IAN | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:795:72: | |
| 795 | CALL RSM_DARE(IZCORE, NAT,519,0) ! IZCORE | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:769:72: | |
| 769 | CALL RSM_DAWR(ICNTRL, 18,621,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:701:72: | |
| 701 | CALL RSM_DARE(ICNTRL, 18,621,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:991:72: | |
| 991 | CALL RSM_DAWR(I0 , 1,531,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:992:72: | |
| 992 | CALL RSM_DAWR(NSHELL, 1,532,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:993:72: | |
| 993 | CALL RSM_DAWR(NPRIM , 1,533,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:994:72: | |
| 994 | CALL RSM_DAWR(I1 ,NSHELL,534,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:995:72: | |
| 995 | CALL RSM_DAWR(I2 ,NSHELL,535,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:996:72: | |
| 996 | CALL RSM_DAWR(I3 ,NSHELL,536,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:997:72: | |
| 997 | CALL RSM_DAWR(I4 ,NSHELL,537,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:998:72: | |
| 998 | CALL RSM_DAWR(I5 ,NSHELL,538,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:999:72: | |
| 999 | CALL RSM_DAWR(I6 ,NSHELL,539,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:1000:72: | |
| 1000 | CALL RSM_DAWR(I7 ,NSHELL,540,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:914:72: | |
| 914 | CALL RSM_DARE(I0 , 1,531,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:915:72: | |
| 915 | CALL RSM_DARE(NSHELL, 1,532,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:916:72: | |
| 916 | CALL RSM_DARE(NPRIM , 1,533,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:934:72: | |
| 934 | CALL RSM_DARE(KSTART,NSHELL,534,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:935:72: | |
| 935 | CALL RSM_DARE(KATOM ,NSHELL,535,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:936:72: | |
| 936 | CALL RSM_DARE(KTYPE ,NSHELL,536,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:937:72: | |
| 937 | CALL RSM_DARE(KNG ,NSHELL,537,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:938:72: | |
| 938 | CALL RSM_DARE(KLOC ,NSHELL,538,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:939:72: | |
| 939 | CALL RSM_DARE(KMIN ,NSHELL,539,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| rsmstop.f:940:72: | |
| 940 | CALL RSM_DARE(KMAX ,NSHELL,540,0) | |
| | 1 | |
| Warning: Type mismatch in argument v at (1); passed INTEGER(8) to REAL(8) | |
| Fri 10 May 09:57:32 BST 2024 | |
| 0.680u 0.122s 0:00.82 97.5% 0+0k 0+0io 0pf+0w | |
| ------------------- done with all compilations -------------------- | |
| Fri 10 May 09:57:32 BST 2024 | |
| 681.133u 55.854s 12:26.16 98.7% 0+0k 0+0io 0pf+0w | |
| == 2024-05-10 09:57:33,066 build_log.py:147 WARNING Deprecated functionality, will no longer work in EasyBuild v6.0: run_cmd is deprecated, use run_shell_cmd from easybuild.tools.run instead; see https://docs.easybuild.io/deprecated-functionality/ for more information | |
| == 2024-05-10 09:57:33,071 _deprecated.py:247 INFO running cmd: /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/lked gamess 20230930-R2 | |
| == 2024-05-10 09:57:40,843 _deprecated.py:704 INFO cmd "/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/lked gamess 20230930-R2" exited with exit code 0 and output: | |
| Fri 10 May 09:57:33 BST 2024 | |
| GAMESS will be linked into the binary file gamess.20230930-R2.x. | |
| Checking whether /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenBLAS/0.3.20-GCC-11.3.0-int8/lib/libopenblas.a uses 64-bit integers. | |
| gfortran -fdefault-integer-8 -finit-integer=-9223372036854775808 -fopenmp /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tools/test_dgesv.f90 /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenBLAS/0.3.20-GCC-11.3.0-int8/lib/libopenblas.a -o /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/test_dgesv | |
| /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/test_dgesv | |
| Check was successful. | |
| set rc=0 | |
| unset echo | |
| The name of the linker on this machine is gfortran, | |
| and the linker options are " ". | |
| Object code list begins "gamess.o unport.o", | |
| followed by LAPACK object code "-lopenblas -lgfortran", | |
| followed by the standard GAMESS object code list, | |
| aldeci.o algnci.o basccn.o basecp.o basext.o basg3l.o bashuz.o bashz2.o baskar.o basminix.o basn21.o basn31.o baspcn.o basg3x.o bassto.o casino.o ccaux.o ccddi.o ccqaux.o ccquad.o ccsdt.o ceeis.o cepa.o cnglob.o chgpen.o cimf.o ciminf.o cimi.o cimlib.o cimsub.o cisgrd.o comp.o cosmo.o cosprt.o cphf.o cpmchf.o cprohf.o cpuhf.o dccc.o dcgrd.o dcgues.o dcint2.o dclib.o dcmp2.o dcscf.o dctran.o ddilib.o delocl.o demrpt.o dft.o dftaux.o dftbfo.o dftbgr.o dftbhs.o dftblb.o dftbpb.o dftbsk.o dftbtd.o dftbx.o dftdis.o dftfun.o dftgrd.o dftint.o dftxca.o dftxcb.o dftxcc.o dftxcd.o dftxce.o dftxcf.o dftxcg.o diab.o dmulti.o drc.o eaipcc.o ecp.o ecpder.o ecplib.o ecppot.o efpmodule.o efchtr.o efdrvr.o efelec.o efgrd2.o efgrda.o efgrdb.o efgrdc.o efinp.o efinta.o efintb.o efmo.o efmograd.o efmograd_es.o efmograd_exrep.o efmograd_disp.o efmograd_pol.o efpaul.o efpcm.o efpcov.o efpfmo.o eftei.o eftei_genr70.o eftei_genr03.o eftei_eric.o eigen.o elglib.o elgloc.o elgscf.o eomcc.o ewald.o excorr.o ffield.o fmo.o fmoafo.o fmocp.o fmoesd.o fmogrd.o fmoh1a.o fmoh2a.o fmoh2b.o fmoh2c.o fmohss.o fmoint.o fmoio.o fmolib.o fmomm.o fmopbc.o fmoprp.o | |
| frfmt.o fsodci.o g3.o globop.o gmcpt.o gradex.o guess.o grd1.o grd2a.o grd2b.o grd2c.o gugdga.o gugdgb.o gugdm.o gugdm2.o gugdrt.o gugem.o gugsrt.o gvb.o hess.o hss1a.o hss1b.o hss1c.o hss2a.o hss2b.o hss2c.o inputa.o inputb.o inputc.o int1.o int2a.o int2b.o int2c.o int2d.o int2f.o int2g.o int2r.o int2s.o iolib.o ivocas.o lagran.o local.o locatd.o loccd.o locpol.o locsvd.o lrd.o lut.o mod_lutiotc.o modmcpdft.o mcpdft.o mcpgrd.o mcpinp.o mcpint.o mcpl10.o mcpl20.o mcpl30.o mcpl40.o mcpl50.o mcpl60.o mcpl70.o mcpl80.o mccas.o mcjac.o mcqdpt.o mcqdwt.o mcqud.o mcscf.o mctwo.o mctwo-defensive.o mdefp.o mexing.o mltfmo.o mm23.o modmnfun.o modcc.o morokm.o mnsol.o mp2.o mp2ddi.o mp2grd.o mp2grd-defensive.o mp2gr2.o mp2ims.o mod_sformas.o mpcdat.o mpcdatpm6.o mpcgrd.o mpchbond.o mpcint.o mpcmol.o mpcmsc.o mpcpcm.o mrsf.o mthlib.o nameio.o nebpath.o namd.o nmr.o | |
| optcix.o ordint.o ormas1.o ormpt2.o parley.o pcm.o pcmcav.o pcmcv2.o pcmder.o pcmdis.o pcmhss.o pcmief.o pcmpol.o pcmvch.o prpamm.o prpel.o prplib.o prppop.o qeigen.o qfmm.o qmfm.o qrel.o quanpoa.o quanpoa_1.o quanpob.o quanpoc.o quanpod.o quanpoe.o quanpof.o raman.o reks.o reorg.o rhfuhf.o ricab.o riint.o rimp2.o rimp2_1.o rimp2omp.o rimp2grd.o rmd.o rmddat.o rmdgen.o rmdwrk.o rmdrun.o roeom.o rohfcc.o rxncrd.o ryspol.o scflib.o scfmi.o scrf.o secor.o sfdft.o sfgrad.o sobrt.o soffac.o solib.o sozeff.o statpt.o hrmrst.o surf.o svpchg.o svpinp.o svpleb.o symhi.o symorb.o symslc.o tddft.o tduprp.o tddefp.o tddfun.o tddfxc.o tddgrd.o tddint.o tddnlr.o tddxca.o tddxcc.o tddxcd_m05.o tddxcd_m06.o tddxcd_m08.o tddxcd_pkzb.o tddxcd_revtpss.o tddxcd_tpss.o tddxcd_vs98.o tddxce.o tdhf.o tdx.o tdxio.o tdxitr.o tdxni.o tdxprp.o trans.o trfdm2.o trnstn.o trudge.o umpddi.o utddft.o utdgrd.o vibanl.o vm2_module.o vscf.o vvos.o vvorel.o zapddi.o zmatrx.o mod_nosp_basis.o mod_grid_storage.o mod_dft_partfunc.o mod_dft_molgrid.o mod_dft_fuzzycell.o mod_dft_gridint.o constants.o gausshermite.o modules_dft.o mod_vvos.o modf77_vvorel.o utils_strings.o modules_common.o messages.o fcidump.o | |
| stubcc3.o | |
| prec.o params.o mx_limits.o | |
| functionals.o libxc.o mod_nameio.o | |
| /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/libxc/5.2.3-GCC-11.3.0/lib/libxcf03.a /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/libxc/5.2.3-GCC-11.3.0/lib/libxc.a | |
| modmdi_empty.o | |
| Choices for some optional plug-in codes are | |
| Tinker/SIMOMM code skipped, using dummy file qmmm.o | |
| Both VB programs skipped, using dummy file vbdum.o | |
| Nuclear Electron Orbital code skipped, using dummy file neostb.o | |
| RISM-SCF-cSED code skipped, using dummy file rsmstop.o | |
| Natural Bond Orbital (NBO) code skipped, using dummy file nbostb.o | |
| MPQC code skipped, using dummy file mpqcst.o | |
| VM2 code skipped, using dummy file vm2_stub.o | |
| The message passing libraries searched are | |
| /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/ddi/libddi.a -L/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenMPI/4.1.4-GCC-11.3.0//lib64 -lmpi -lpthread | |
| Other libraries, including math libraries, to be searched are | |
| /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenBLAS/0.3.20-GCC-11.3.0-int8/lib/libopenblas.a | |
| -lopenblas -lgfortran | |
| Linker messages (if any) follow... | |
| gfortran -o /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/gamess.20230930-R2.x -I/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/object gamess.o gamess_version.o unport.o util.o aldeci.o algnci.o basccn.o basecp.o basext.o basg3l.o bashuz.o bashz2.o baskar.o basminix.o basn21.o basn31.o baspcn.o basg3x.o bassto.o casino.o ccaux.o ccddi.o ccqaux.o ccquad.o ccsdt.o ceeis.o cepa.o cnglob.o chgpen.o cimf.o ciminf.o cimi.o cimlib.o cimsub.o cisgrd.o comp.o cosmo.o cosprt.o cphf.o cpmchf.o cprohf.o cpuhf.o dccc.o dcgrd.o dcgues.o dcint2.o dclib.o dcmp2.o dcscf.o dctran.o ddilib.o delocl.o demrpt.o dft.o dftaux.o dftbfo.o dftbgr.o dftbhs.o dftblb.o dftbpb.o dftbsk.o dftbtd.o dftbx.o dftdis.o dftfun.o dftgrd.o dftint.o dftxca.o dftxcb.o dftxcc.o dftxcd.o dftxce.o dftxcf.o dftxcg.o diab.o dmulti.o drc.o eaipcc.o ecp.o ecpder.o ecplib.o ecppot.o efpmodule.o efchtr.o efdrvr.o efelec.o efgrd2.o efgrda.o efgrdb.o efgrdc.o efinp.o efinta.o efintb.o efmo.o efmograd.o efmograd_es.o efmograd_exrep.o efmograd_disp.o efmograd_pol.o efpaul.o efpcm.o efpcov.o efpfmo.o eftei.o eftei_genr70.o eftei_genr03.o eftei_eric.o eigen.o elglib.o elgloc.o elgscf.o eomcc.o ewald.o excorr.o ffield.o fmo.o fmoafo.o fmocp.o fmoesd.o fmogrd.o fmoh1a.o fmoh2a.o fmoh2b.o fmoh2c.o fmohss.o fmoint.o fmoio.o fmolib.o fmomm.o fmopbc.o fmoprp.o frfmt.o fsodci.o g3.o globop.o gmcpt.o gradex.o guess.o grd1.o grd2a.o grd2b.o grd2c.o gugdga.o gugdgb.o gugdm.o gugdm2.o gugdrt.o gugem.o gugsrt.o gvb.o hess.o hss1a.o hss1b.o hss1c.o hss2a.o hss2b.o hss2c.o inputa.o inputb.o inputc.o int1.o int2a.o int2b.o int2c.o int2d.o int2f.o int2g.o int2r.o int2s.o iolib.o ivocas.o lagran.o local.o locatd.o loccd.o locpol.o locsvd.o lrd.o lut.o mod_lutiotc.o modmcpdft.o mcpdft.o mcpgrd.o mcpinp.o mcpint.o mcpl10.o mcpl20.o mcpl30.o mcpl40.o mcpl50.o mcpl60.o mcpl70.o mcpl80.o mccas.o mcjac.o mcqdpt.o mcqdwt.o mcqud.o mcscf.o mctwo.o mctwo-defensive.o mdefp.o mexing.o mltfmo.o mm23.o modmnfun.o modcc.o morokm.o mnsol.o mp2.o mp2ddi.o mp2grd.o mp2grd-defensive.o mp2gr2.o mp2ims.o mod_sformas.o mpcdat.o mpcdatpm6.o mpcgrd.o mpchbond.o mpcint.o mpcmol.o mpcmsc.o mpcpcm.o mrsf.o mthlib.o nameio.o nebpath.o namd.o nmr.o optcix.o ordint.o ormas1.o ormpt2.o parley.o pcm.o pcmcav.o pcmcv2.o pcmder.o pcmdis.o pcmhss.o pcmief.o pcmpol.o pcmvch.o prpamm.o prpel.o prplib.o prppop.o qeigen.o qfmm.o qmfm.o qrel.o quanpoa.o quanpoa_1.o quanpob.o quanpoc.o quanpod.o quanpoe.o quanpof.o raman.o reks.o reorg.o rhfuhf.o ricab.o riint.o rimp2.o rimp2_1.o rimp2omp.o rimp2grd.o rmd.o rmddat.o rmdgen.o rmdwrk.o rmdrun.o roeom.o rohfcc.o rxncrd.o ryspol.o scflib.o scfmi.o scrf.o secor.o sfdft.o sfgrad.o sobrt.o soffac.o solib.o sozeff.o statpt.o hrmrst.o surf.o svpchg.o svpinp.o svpleb.o symhi.o symorb.o symslc.o tddft.o tduprp.o tddefp.o tddfun.o tddfxc.o tddgrd.o tddint.o tddnlr.o tddxca.o tddxcc.o tddxcd_m05.o tddxcd_m06.o tddxcd_m08.o tddxcd_pkzb.o tddxcd_revtpss.o tddxcd_tpss.o tddxcd_vs98.o tddxce.o tdhf.o tdx.o tdxio.o tdxitr.o tdxni.o tdxprp.o trans.o trfdm2.o trnstn.o trudge.o umpddi.o utddft.o utdgrd.o vibanl.o vm2_module.o vscf.o vvos.o vvorel.o zapddi.o zmatrx.o mod_nosp_basis.o mod_grid_storage.o mod_dft_partfunc.o mod_dft_molgrid.o mod_dft_fuzzycell.o mod_dft_gridint.o constants.o gausshermite.o modules_dft.o mod_vvos.o modf77_vvorel.o utils_strings.o modules_common.o messages.o fcidump.o stubcc3.o functionals.o libxc.o mod_nameio.o modmdi_empty.o qmmm.o vbdum.o neostb.o nbostb.o rsmstop.o vm2_stub.o cchdmy.o hpcchem_stubs.o prec.o params.o mx_limits.o mpqcst.o /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenBLAS/0.3.20-GCC-11.3.0-int8/lib/libopenblas.a -lopenblas -lgfortran /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenBLAS/0.3.20-GCC-11.3.0-int8/lib/libopenblas.a /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/ddi/libddi.a -L/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/OpenMPI/4.1.4-GCC-11.3.0//lib64 -lmpi -lpthread /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/libxc/5.2.3-GCC-11.3.0/lib/libxcf03.a /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/libxc/5.2.3-GCC-11.3.0/lib/libxc.a | |
| set rc=0 | |
| unset echo | |
| The linking of GAMESS to binary gamess.20230930-R2.x was successful. | |
| 0.863u 0.748s 0:07.71 20.7% 0+0k 0+0io 0pf+0w | |
| == 2024-05-10 09:57:40,844 hooks.py:215 INFO Found post_build_hook hook | |
| == 2024-05-10 09:57:40,844 hooks.py:249 INFO Running 'post_build_hook' hook function (args: [<easybuild.easyblocks.gamess_us.EB_GAMESS_minus_US object at 0x7f25593cd048>], keyword args: {})... | |
| == 2024-05-10 09:57:40,844 build_log.py:267 INFO ... (took 12 mins 45 secs) | |
| == 2024-05-10 09:57:40,846 build_log.py:267 INFO testing... | |
| == 2024-05-10 09:57:40,848 easyblock.py:3979 INFO Starting test step | |
| == 2024-05-10 09:57:40,848 easyconfig.py:1680 INFO Generating template values... | |
| == 2024-05-10 09:57:40,849 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI' | |
| == 2024-05-10 09:57:40,849 mpi.py:298 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'}) | |
| == 2024-05-10 09:57:40,849 easyconfig.py:1699 INFO Template values: arch='x86_64', bitbucket_account='gamess-us', builddir='/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a', cuda_cc_cmake='80', cuda_cc_semicolon_sep='8.0', cuda_cc_space_sep='8.0', cuda_compute_capabilities='8.0', cuda_int_comma_sep='80', cuda_int_semicolon_sep='80', cuda_int_space_sep='80', cuda_sm_comma_sep='sm_80', cuda_sm_space_sep='sm_80', github_account='gamess-us', installdir='/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a', module_name='GAMESS-US/20230930-R2-gompi-2022a', mpi_cmd_prefix='mpirun -n 1', name='GAMESS-US', nameletter='G', nameletterlower='g', namelower='gamess-us', parallel='24', start_dir='/rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/', sysroot='', toolchain_name='gompi', toolchain_version='2022a', version='20230930-R2', version_major='20230930-R2', versionprefix='', versionsuffix='' | |
| == 2024-05-10 09:57:40,849 hooks.py:215 INFO Found pre_test_hook hook | |
| == 2024-05-10 09:57:40,849 hooks.py:249 INFO Running 'pre_test_hook' hook function (args: [<easybuild.easyblocks.gamess_us.EB_GAMESS_minus_US object at 0x7f25593cd048>], keyword args: {})... | |
| == 2024-05-10 09:57:41,092 easyblock.py:3987 INFO Running method test_step part of step test | |
| == 2024-05-10 09:57:41,136 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,166 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam07.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,174 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam29.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,180 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam15.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,184 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam26.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,200 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam06.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,201 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam24.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,213 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam21.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,214 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam03.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,215 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam30.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,237 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam39.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,238 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam04.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,252 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam40.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,253 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam14.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,253 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam37.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,253 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam41.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,254 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam16.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,267 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam19.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,268 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam22.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,268 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam43.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,269 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam49.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,270 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam20.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,270 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam11.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,271 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam35.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,271 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam12.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,272 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam17.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,280 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam25.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,289 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam27.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,300 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam33.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,301 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam28.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,302 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam18.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,303 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam31.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,303 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam38.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,303 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam13.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,324 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam48.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,325 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam08.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,325 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam10.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,326 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam02.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,334 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam36.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,335 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam09.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,336 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam23.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,336 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam34.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,337 filetools.py:2373 INFO /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam44.inp copied to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| == 2024-05-10 09:57:41,337 build_log.py:147 WARNING Deprecated functionality, will no longer work in EasyBuild v6.0: run_cmd is deprecated, use run_shell_cmd from easybuild.tools.run instead; see https://docs.easybuild.io/deprecated-functionality/ for more information | |
| == 2024-05-10 09:57:41,341 _deprecated.py:247 INFO running cmd: export OMP_NUM_THREADS=1 && SCR=/dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/rungms /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.inp 20230930-R2 24 24 | |
| == 2024-05-10 09:57:43,193 build_log.py:171 ERROR EasyBuild encountered an error (at easybuild/src/easybuild-framework/easybuild/base/exceptions.py:126 in __init__): cmd "export OMP_NUM_THREADS=1 && SCR=/dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/rungms /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.inp 20230930-R2 24 24" exited with exit code 1 and output: | |
| 1 : /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.inp | |
| 2 : 20230930-R2 | |
| 3 : 24 | |
| 4 : 24 | |
| ----- GAMESS execution script 'rungms' ----- | |
| This job is running on host bear-pg0105u03a | |
| under operating system Linux at Fri 10 May 09:57:41 BST 2024 | |
| Available scratch disk space (Kbyte units) at beginning of the job is | |
| Filesystem 1K-blocks Used Available Use% Mounted on | |
| tmpfs 263999952 11215724 252784228 5% /dev/shm | |
| GAMESS temporary binary files will be written to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6 | |
| GAMESS supplementary output files will be written to /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q | |
| Copying input file /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.inp to your run's scratch directory... | |
| cp /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.inp /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F05 | |
| unset echo | |
| setenv NO_STOP_MESSAGE 1 | |
| setenv AUXDATA /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata | |
| setenv EXTBAS /dev/null | |
| setenv NUCBAS /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.nucbas | |
| setenv EXTCAB /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata/AUXBAS/auxdef21 | |
| setenv POSBAS /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/tests/standard/exam01.posbas | |
| setenv DFTBPAR /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata/DFTB | |
| setenv ERICFMT /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata/ericfmt.dat | |
| setenv MCPPATH /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata/MCP | |
| setenv BASPATH /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata/BASES | |
| setenv QUANPOL /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/GAMESS-US/20230930-R2-gompi-2022a/auxdata/QUANPOL | |
| setenv MAKEFP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.efp | |
| setenv GAMMA /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.gamma | |
| setenv TRAJECT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.trj | |
| setenv RESTART /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.rst | |
| setenv QMWAVE /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.qmw | |
| setenv MDDIP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.dip | |
| setenv OPTHES1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.hs1 | |
| setenv OPTHES2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.hs2 | |
| setenv FCIDUMP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.FCIDUMP | |
| setenv XYZ /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.xyz | |
| setenv IRCDATA /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F04 | |
| setenv INPUT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F05 | |
| setenv PUNCH /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.dat | |
| setenv NAMDRST /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.namdrst | |
| setenv AOINTS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F08 | |
| setenv MOINTS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F09 | |
| setenv DICTNRY /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F10 | |
| setenv DRTFILE /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F11 | |
| setenv CIVECTR /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F12 | |
| setenv CASINTS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F13 | |
| setenv CIINTS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F14 | |
| setenv WORK15 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F15 | |
| setenv WORK16 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F16 | |
| setenv CSFSAVE /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F17 | |
| setenv FOCKDER /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F18 | |
| setenv WORK19 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F19 | |
| setenv DASORT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F20 | |
| setenv DIABDAT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F21 | |
| setenv DFTINTS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F21 | |
| setenv DFTGRID /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F22 | |
| setenv JKFILE /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F23 | |
| setenv ORDINT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F24 | |
| setenv EFPIND /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F25 | |
| setenv PCMDATA /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F26 | |
| setenv PCMINTS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F27 | |
| setenv SVPWRK1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F26 | |
| setenv SVPWRK2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F27 | |
| setenv COSCAV /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F26 | |
| setenv COSDATA /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.cosmo | |
| setenv COSPOT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/exam01.pot | |
| setenv MLTPL /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F28 | |
| setenv MLTPLT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F29 | |
| setenv DAFL30 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F30 | |
| setenv SOINTX /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F31 | |
| setenv SOINTY /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F32 | |
| setenv SOINTZ /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F33 | |
| setenv SORESC /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F34 | |
| setenv RISM01 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F26R | |
| setenv RISM02 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F27R | |
| setenv QOPWRF /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.wrf | |
| setenv GCILIST /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F37 | |
| setenv HESSIAN /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F38 | |
| setenv QMMMTEI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F39 | |
| setenv SOCCDAT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F40 | |
| setenv AABB41 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F41 | |
| setenv BBAA42 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F42 | |
| setenv BBBB43 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F43 | |
| setenv REMD /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F44 | |
| setenv UNV /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F45 | |
| setenv UNPV /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F46 | |
| setenv MCQD50 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F50 | |
| setenv MCQD51 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F51 | |
| setenv MCQD52 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F52 | |
| setenv MCQD53 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F53 | |
| setenv MCQD54 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F54 | |
| setenv MCQD55 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F55 | |
| setenv MCQD56 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F56 | |
| setenv MCQD57 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F57 | |
| setenv MCQD58 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F58 | |
| setenv MCQD59 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F59 | |
| setenv MCQD60 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F60 | |
| setenv MCQD61 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F61 | |
| setenv MCQD62 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F62 | |
| setenv MCQD63 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F63 | |
| setenv MCQD64 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F64 | |
| setenv NMRINT1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F61 | |
| setenv NMRINT2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F62 | |
| setenv NMRINT3 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F63 | |
| setenv NMRINT4 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F64 | |
| setenv NMRINT5 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F65 | |
| setenv NMRINT6 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F66 | |
| setenv DCPHFH2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F67 | |
| setenv DCPHF21 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F68 | |
| setenv ELNUINT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F67 | |
| setenv NUNUINT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F68 | |
| setenv GVVPT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F69 | |
| setenv NUMOIN /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F69 | |
| setenv NUMOCAS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F70 | |
| setenv NUELMO /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F71 | |
| setenv NUELCAS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F72 | |
| setenv EPOVRLP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F73 | |
| setenv RIVMAT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F51 | |
| setenv RIT2A /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F52 | |
| setenv RIT3A /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F53 | |
| setenv RIT2B /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F54 | |
| setenv RIT3B /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F55 | |
| setenv KI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F47 | |
| setenv BI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F48 | |
| setenv PRMERI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F49 | |
| setenv TRSERI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F50 | |
| setenv PVP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F51 | |
| setenv TPVPI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F52 | |
| setenv TPVPJ /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F53 | |
| setenv PPVPP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F54 | |
| setenv TPPVPP /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F55 | |
| setenv DEN2P1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F70 | |
| setenv DEN2P2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F71 | |
| setenv DEN2P3 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F72 | |
| setenv DEN2P4 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F73 | |
| setenv DEN2NM /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F74 | |
| setenv DEN2OPT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F75 | |
| setenv GMCREF /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F70 | |
| setenv GMCO2R /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F71 | |
| setenv GMCROC /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F72 | |
| setenv GMCOOC /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F73 | |
| setenv GMCCC0 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F74 | |
| setenv GMCHMA /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F75 | |
| setenv GMCEI1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F76 | |
| setenv GMCEI2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F77 | |
| setenv GMCEOB /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F78 | |
| setenv GMCEDT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F79 | |
| setenv GMCERF /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F80 | |
| setenv GMCHCR /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F81 | |
| setenv GMCGJK /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F82 | |
| setenv GMCGAI /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F83 | |
| setenv GMCGEO /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F84 | |
| setenv GMCTE1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F85 | |
| setenv GMCTE2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F86 | |
| setenv GMCHEF /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F87 | |
| setenv GMCMOL /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F88 | |
| setenv GMCMOS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F89 | |
| setenv GMCWGT /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F90 | |
| setenv GMCRM2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F91 | |
| setenv GMCRM1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F92 | |
| setenv GMCR00 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F93 | |
| setenv GMCRP1 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F94 | |
| setenv GMCRP2 /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F95 | |
| setenv GMCVEF /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F96 | |
| setenv GMCDIN /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F97 | |
| setenv GMC2SZ /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F98 | |
| setenv GMCCCS /dev/shm/branfosj/tmp-up-EL8/eb-_c3dy29q/tmp5_weklz6/exam01.F99 | |
| unset echo | |
| SLURM_NODELIST: Undefined variable. | |
| (at easybuild/src/easybuild-framework/easybuild/_deprecated.py:699 in parse_cmd_output) | |
| == 2024-05-10 09:57:43,193 build_log.py:267 INFO ... (took 2 secs) | |
| == 2024-05-10 09:57:43,195 filetools.py:1988 INFO Removing lock /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/.locks/_rds_projects_2017_branfosj-rse_easybuild_EL8-ice_software_GAMESS-US_20230930-R2-gompi-2022a.lock... | |
| == 2024-05-10 09:57:43,201 filetools.py:384 INFO Path /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/.locks/_rds_projects_2017_branfosj-rse_easybuild_EL8-ice_software_GAMESS-US_20230930-R2-gompi-2022a.lock successfully removed. | |
| == 2024-05-10 09:57:43,201 filetools.py:1992 INFO Lock removed: /rds/projects/2017/branfosj-rse/easybuild/EL8-ice/software/.locks/_rds_projects_2017_branfosj-rse_easybuild_EL8-ice_software_GAMESS-US_20230930-R2-gompi-2022a.lock | |
| == 2024-05-10 09:57:43,201 easyblock.py:329 INFO Closing log for application name GAMESS-US version 20230930-R2 |
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