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September 2, 2022 07:03
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(partial) EasyBuild log for failed build of /dev/shm/f115261/eb-tg7oja0v/files_pr16136/a/AmberTools/AmberTools-22.3-foss-2021b.eb (PR(s) #16136)
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/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr.min: Program error | |
make[1]: [Makefile:1193: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd dhfr && ./Run.dhfr.noshake | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr.noshake: Program error | |
make[1]: [Makefile:1194: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd dhfr && ./Run.dhfr.bussi | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr.bussi: Program error | |
make[1]: [Makefile:1195: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd dhfr && ./Run.dhfr_reweight | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_reweight: Program error | |
make[1]: [Makefile:1196: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd ff14ipq && ./Run.ff14ipq | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ff14ipq: Program error | |
make[1]: [Makefile:1197: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd variable_14 && ./Run.variable_14_ntb1 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.variable_14_ntb1: Program error | |
make[1]: [Makefile:1198: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd variable_14 && ./Run.variable_14_igb1 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.variable_14_igb1: Program error | |
make[1]: [Makefile:1199: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd trx && ./Run.trx | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trx: Program error | |
make[1]: [Makefile:1200: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd trx && ./Run.trx.cpln.pmemd | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trx.cpln.pmemd: Program error | |
make[1]: [Makefile:1201: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna: Program error | |
make[1]: [Makefile:1202: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.min | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.min: Program error | |
make[1]: [Makefile:1203: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.ln | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.ln: Program error | |
make[1]: [Makefile:1204: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd circ_dna && ./Run.circdna | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.circdna: Program error | |
make[1]: [Makefile:1205: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb2_trx && ./Run.trxox.nogbsa && ./Run.trxox.nogbsa prmtop_an | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trxox.nogbsa: Program error | |
make[1]: [Makefile:1206: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb7_trx && ./Run.trxox_md | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trxox_md: Program error | |
make[1]: [Makefile:1207: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb8_trx && ./Run.trxox | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trxox: Program error | |
make[1]: [Makefile:1208: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb8_trx && ./Run.trxox_md && ./Run.trxox_md prmtop_an | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trxox_md: Program error | |
make[1]: [Makefile:1209: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd mcwat && ./Run.mcwat | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.mcwat: Program error | |
make[1]: [Makefile:1210: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd ff19SB && ./Run.pmemd | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pmemd: Program error | |
make[1]: [Makefile:1211: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gbneck2nu/1hji && ./Run.1hji_md | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.1hji_md: Program error | |
make[1]: [Makefile:1212: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gbneck2nu/modified_nu/3p4a/ && ./Run.3p4a | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.3p4a: Program error | |
make[1]: [Makefile:1213: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd alpb_trx && ./Run.trxox.nogbsa | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.trxox.nogbsa: Program error | |
make[1]: [Makefile:1214: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gbsa_xfin && ./Run.gbsa1 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbsa1: Program error | |
make[1]: [Makefile:1215: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gbsa_xfin && ./Run.gbsa3 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbsa3: Program error | |
make[1]: [Makefile:1216: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd tip4p && ./Run.tip4p | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tip4p: Program error | |
make[1]: [Makefile:1217: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd tip4p && ./Run.tip4p_mcbar | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tip4p_mcbar: Program error | |
make[1]: [Makefile:1218: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd tip4p && ./Run.tip4p_nve | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tip4p_nve: Program error | |
make[1]: [Makefile:1219: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd tip5p && ./Run.tip5p | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tip5p: Program error | |
make[1]: [Makefile:1220: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd tip5p && ./Run.tip5p_nve | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tip5p_nve: Program error | |
make[1]: [Makefile:1221: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.min | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_charmm.min: Program error | |
make[1]: [Makefile:1222: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.md | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_charmm.md: Program error | |
make[1]: [Makefile:1223: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_charmm.md: Program error | |
make[1]: [Makefile:1224: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.min | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error | |
make[1]: [Makefile:1225: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.md | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error | |
make[1]: [Makefile:1226: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.min | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_cmap_pbc_charmm.min: Program error | |
make[1]: [Makefile:1227: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.md | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.dhfr_cmap_pbc_charmm.md: Program error | |
make[1]: [Makefile:1228: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips: Program (ignored) error | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd csurften && ./Run.csurften_z-dir | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.csurften_z-dir: Program error | |
make[1]: [Makefile:1230: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd lj_12-6-4 && ./Run.12-6-4 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.12-6-4: Program error | |
make[1]: [Makefile:1231: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd csurften && ./Run.csurften_z-dir_npt_3 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.csurften_z-dir_npt_3: Program error | |
make[1]: [Makefile:1232: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd nmropt && make pmemd_compat | |
make[2]: Entering directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/nmropt' | |
cd gb/angle && ./Run.nmropt_1angle_gb | |
./Run.nmropt_1angle_gb: line 43: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1angle_gb: Program error | |
make[2]: [Makefile:13: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/distance && ./Run.dist_gb | |
./Run.dist_gb: line 49: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.dist_gb: Program error | |
make[2]: [Makefile:14: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/distance_COM && ./Run.distCOM_gb | |
./Run.distCOM_gb: line 49: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.distCOM_gb: Program error | |
make[2]: [Makefile:15: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/jar_distance && ./Run.jar_gb | |
./Run.jar_gb: line 47: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.jar_gb: Program error | |
make[2]: [Makefile:16: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/jar_distance_COM && ./Run.jar_gb | |
./Run.jar_gb: line 48: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.jar_gb: Program error | |
make[2]: [Makefile:17: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/jar_torsion && ./Run.jar_torsion | |
./Run.jar_torsion: line 45: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.jar_torsion: Program error | |
make[2]: [Makefile:18: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/nmropt_1_torsion && ./Run.nmropt_1_torsion | |
./Run.nmropt_1_torsion: line 46: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1_torsion: Program error | |
make[2]: [Makefile:19: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/tautp && ./Run.nmropt_1tautp_gb | |
./Run.nmropt_1tautp_gb: line 37: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1tautp_gb: Program error | |
make[2]: [Makefile:20: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/temp && ./Run.nmropt_1temp_gb | |
./Run.nmropt_1temp_gb: line 37: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1temp_gb: Program error | |
make[2]: [Makefile:21: pmemd_compat_gb] Error 1 (ignored) | |
cd gb/angle_torsion_com/ && ./Run.angdihCOM_gb | |
./Run.angdihCOM_gb: line 64: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.angdihCOM_gb: Program error | |
make[2]: [Makefile:22: pmemd_compat_gb] Error 1 (ignored) | |
cd pme/angle && ./Run.nmropt_1angle_pbc | |
./Run.nmropt_1angle_pbc: line 44: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1angle_pbc: Program error | |
make[2]: [Makefile:34: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/distance && ./Run.dist_pbc | |
./Run.dist_pbc: line 52: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.dist_pbc: Program error | |
make[2]: [Makefile:35: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/distance_COM && ./Run.distCOM_pbc | |
./Run.distCOM_pbc: line 53: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.distCOM_pbc: Program error | |
make[2]: [Makefile:36: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/jar_torsion && ./Run.jar_torsion | |
./Run.jar_torsion: line 48: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.jar_torsion: Program error | |
make[2]: [Makefile:37: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/jar_distance && ./Run.jar_pbc | |
./Run.jar_pbc: line 52: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.jar_pbc: Program error | |
make[2]: [Makefile:38: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/jar_distance_COM && ./Run.jar_pbc | |
./Run.jar_pbc: line 52: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.jar_pbc: Program error | |
make[2]: [Makefile:39: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/nmropt_1_torsion && ./Run.nmropt_1_torsion | |
./Run.nmropt_1_torsion: line 49: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1_torsion: Program error | |
make[2]: [Makefile:40: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/tautp && ./Run.nmropt_1tautp_pbc | |
./Run.nmropt_1tautp_pbc: line 39: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1tautp_pbc: Program error | |
make[2]: [Makefile:41: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/temp && ./Run.nmropt_1temp_pbc | |
./Run.nmropt_1temp_pbc: line 39: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.nmropt_1temp_pbc: Program error | |
make[2]: [Makefile:42: pmemd_compat_pme] Error 1 (ignored) | |
cd pme/angle_torsion_com/ && ./Run.angdihCOM | |
./Run.angdihCOM: line 68: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.angdihCOM: Program error | |
make[2]: [Makefile:43: pmemd_compat_pme] Error 1 (ignored) | |
make[2]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/nmropt' | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd rdc && ./Run.nmr | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.nmr: Program error | |
make[1]: [Makefile:1234: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd netcdf && make -k test OPT=yes | |
make[2]: Entering directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/netcdf' | |
Netcdf MD Restart Write Test | |
./runmd.sh: line 32: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./runmd.sh: Program error | |
make[2]: [Makefile:6: mdrstwrite] Error 1 (ignored) | |
Netcdf Minimization Restart Write Test | |
./runmin.sh: line 28: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./runmin.sh: Program error | |
make[2]: [Makefile:9: minrstwrite] Error 1 (ignored) | |
Restrained MD with netcdf Restart Reference Coords Test | |
./runmd.sh: line 34: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./runmd.sh: Program error | |
make[2]: [Makefile:12: ncrefmd] Error 1 (ignored) | |
Netcdf MD restart read test, ntx=5 | |
./runmd.sh: line 35: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./runmd.sh: Program error | |
make[2]: [Makefile:15: ntx5] Error 1 (ignored) | |
Netcdf MD restart read test, ntx=1 | |
./runmd.sh: line 35: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./runmd.sh: Program error | |
make[2]: [Makefile:18: ntx1] Error 1 (ignored) | |
make[2]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/netcdf' | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd baroscalingdir && ./Run.baroscalingdir_z-dir | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.baroscalingdir_z-dir: Program error | |
make[1]: [Makefile:1236: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd velocity_write && ./Run.vel1 | |
./Run.vel1: line 39: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.vel1: Program error | |
make[1]: [Makefile:1238: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd velocity_write && ./Run.vel2 | |
./Run.vel2: line 25: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.vel2: line 46: /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: No such file or directory | |
./Run.vel2: Program error | |
make[1]: [Makefile:1239: test.serial.pmemd.basic] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/campTI && ./Run.campTI | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.campTI: Program error | |
make[1]: [Makefile:1293: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/pheMTI && ./Run.0 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.0: Program error | |
make[1]: [Makefile:1294: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/pheMTI && ./Run.1 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.1: Program error | |
make[1]: [Makefile:1295: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/pheMTI && ./Run.lambda0 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.lambda0: Program error | |
make[1]: [Makefile:1296: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/pheMTI && ./Run.lambda1 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.lambda1: Program error | |
make[1]: [Makefile:1297: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/sodium && ./Run.sodium | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.sodium: Program error | |
make[1]: [Makefile:1298: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/ti_ggcc && ./Run.test1 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.test1: Program error | |
make[1]: [Makefile:1299: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/ti_ggcc && ./Run.test2 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.test2: Program error | |
make[1]: [Makefile:1300: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/softcore/tishake2vsite && ./Run.tishake2vsite | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tishake2vsite: Program error | |
make[1]: [Makefile:1301: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd pmemdTI/softcore/tishake2vsite && ./Run.tishake2vsite_vacuum | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.tishake2vsite_vacuum: Program error | |
make[1]: [Makefile:1302: test.serial.pmemd.TI] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgld | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgld: Program error | |
make[1]: [Makefile:1369: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgldfp | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgldfp: Program (ignored) error | |
make[1]: [Makefile:1370: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgldg | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgldg: Program error | |
make[1]: [Makefile:1371: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgmdg | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgmdg: Program (ignored) error | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgldbd2 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgldbd2: Program (ignored) error | |
make[1]: [Makefile:1373: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgldbd3 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgldbd3: Program (ignored) error | |
make[1]: [Makefile:1374: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgmdbd2 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgmdbd2: Program (ignored) error | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gact_ips && ./Run.ips_sgmdbd3 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ips_sgmdbd3: Program (ignored) error | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgld | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgld: Program error | |
make[1]: [Makefile:1377: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgldfp | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgldfp: Program error | |
make[1]: [Makefile:1378: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgldg | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgldg: Program error | |
make[1]: [Makefile:1379: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgmdg | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgmdg: Program error | |
make[1]: [Makefile:1380: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgldbd2 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgldbd2: Program error | |
make[1]: [Makefile:1381: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgldbd3 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgldbd3: Program error | |
make[1]: [Makefile:1382: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgmdbd2 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgmdbd2: Program error | |
make[1]: [Makefile:1383: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gb_rna && ./Run.gbrna.sgmdbd3 | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gbrna.sgmdbd3: Program error | |
make[1]: [Makefile:1384: test.serial.pmemd.sgld] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd emap/ && ./Run.emap | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.emap: Program error | |
make[1]: [Makefile:1563: test.serial.pmemd.emap] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; unset DO_PARALLEL; cd emil/emil_pmemd_gbsa && ./Run.emil EMIL | |
DO_PARALLEL not set... testing emil in serial. | |
./Run.emil: Program error | |
make[1]: [Makefile:1515: test.serial.emil.pmemd] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; unset DO_PARALLEL; cd emil/emil_pmemd_tip3p && ./Run.emil EMIL | |
DO_PARALLEL not set... testing emil in serial. | |
./Run.emil: Program error | |
make[1]: [Makefile:1516: test.serial.emil.pmemd] Error 1 (ignored) | |
cd nfe && ./run-pmemd-serial.sh | |
>>>>>>> doing 'abmd_ANALYSIS' | |
>>>>>>> doing 'abmd_FLOODING' | |
>>>>>>> doing 'abmd_UMBRELLA' | |
>>>>>>> doing 'smd' | |
** Error ** : '/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b/bin/pmemd' is not executable | |
>>>>>>> doing 'smd2' | |
** Error ** : '/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b/bin/pmemd' is not executable | |
>>>>>>> doing 'pmd' | |
** Error ** : '/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b/bin/pmemd' is not executable | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd gamd && make -k test OPT=pmemd | |
make[2]: Entering directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/gamd' | |
Testing GaMD with PME | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pme.gamd1: Program error | |
make[2]: [Makefile:7: pme] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pme.gamd2: Program error | |
make[2]: [Makefile:8: pme] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pme.gamd3: Program error | |
make[2]: [Makefile:9: pme] Error 1 (ignored) | |
Testing GaMD with GB | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gb.gamd1: Program error | |
make[2]: [Makefile:13: gb] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gb.gamd2: Program error | |
make[2]: [Makefile:14: gb] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gb.gamd3: Program error | |
make[2]: [Makefile:15: gb] Error 1 (ignored) | |
make[2]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/gamd' | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd amd && make -k test OPT=pmemd | |
make[2]: Entering directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/amd' | |
Testing AMD with PME | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pme.amd1: Program error | |
make[2]: [Makefile:7: pme] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pme.amd2: Program error | |
make[2]: [Makefile:8: pme] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pme.amd3: Program error | |
make[2]: [Makefile:9: pme] Error 1 (ignored) | |
Testing AMD with GB | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gb.amd1: Program error | |
make[2]: [Makefile:19: gb] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gb.amd2: Program error | |
make[2]: [Makefile:20: gb] Error 1 (ignored) | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.gb.amd3: Program error | |
make[2]: [Makefile:21: gb] Error 1 (ignored) | |
make[2]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/amd' | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd scaledMD && make -k test OPT=pmemd | |
make[2]: Entering directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/scaledMD' | |
Testing scaledMD with PME | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.scaledMD: Program error | |
make[2]: *** [Makefile:7: pme] Error 1 | |
make[2]: Target 'test' not remade because of errors. | |
make[2]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test/scaledMD' | |
make[1]: [Makefile:1179: test.serial.pmemd.amd] Error 2 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; unset DO_PARALLEL; cd kmmd/kmmd_pmemd && ./Run.kmmd | |
./Run.kmmd: Program error | |
make[1]: [Makefile:1520: test.serial.pmemd.kmmd] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; unset DO_PARALLEL; cd kmmd/kmmd_pmemd_gb && ./Run.kmmd | |
./Run.kmmd: Program error | |
make[1]: [Makefile:1521: test.serial.pmemd.kmmd] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd middle-scheme/4096wat && ./Run.pure_wat_middle_scheme | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.pure_wat_middle_scheme: Program error | |
make[1]: [Makefile:1172: test.serial.pmemd.middle-scheme] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd middle-scheme/DNA7 && ./Run.DNA_middle_scheme | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.DNA_middle_scheme: Program error | |
make[1]: [Makefile:1173: test.serial.pmemd.middle-scheme] Error 1 (ignored) | |
export TESTsander='/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd'; cd middle-scheme/ETH && ./Run.ETH_middle_scheme | |
/dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b///bin/pmemd: Command not found. | |
./Run.ETH_middle_scheme: Program error | |
make[1]: [Makefile:1174: test.serial.pmemd.middle-scheme] Error 1 (ignored) | |
make[1]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test' | |
make[1]: Entering directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test' | |
Finished serial test suite for Amber 22 at vr sep 2 09:03:22 CEST 2022. | |
make[1]: Leaving directory '/dev/shm/f115261/AmberTools/22.3/foss-2021b/test' | |
0 file comparisons passed | |
0 file comparisons failed | |
120 tests experienced errors | |
Test log file saved as /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b/logs/test_amber_serial/2022-09-02_09-03-14.log | |
No test diffs to save! | |
make: *** [Makefile:15: test] Error 1 | |
(at easybuild/tools/run.py:618 in parse_cmd_output) | |
== 2022-09-02 09:03:23,018 build_log.py:265 INFO ... (took 39 secs) | |
== 2022-09-02 09:03:23,021 filetools.py:2014 INFO Removing lock /dev/shm/f115261/easybuildinstall/software/.locks/_dev_shm_f115261_easybuildinstall_software_AmberTools_22.3-foss-2021b.lock... | |
== 2022-09-02 09:03:23,021 filetools.py:382 INFO Path /dev/shm/f115261/easybuildinstall/software/.locks/_dev_shm_f115261_easybuildinstall_software_AmberTools_22.3-foss-2021b.lock successfully removed. | |
== 2022-09-02 09:03:23,021 filetools.py:2018 INFO Lock removed: /dev/shm/f115261/easybuildinstall/software/.locks/_dev_shm_f115261_easybuildinstall_software_AmberTools_22.3-foss-2021b.lock | |
== 2022-09-02 09:03:23,021 easyblock.py:4098 WARNING build failed (first 300 chars): cmd "source /dev/shm/f115261/easybuildinstall/software/AmberTools/22.3-foss-2021b/amber.sh && cd /dev/shm/f115261/AmberTools/22.3/foss-2021b/test && make test" exited with exit code 2 and output: | |
./test_amber_clean.sh | |
./test_amber_serial.sh | |
make[1]: Entering directory '/dev/shm/f115261/AmberTools/22 | |
== 2022-09-02 09:03:23,021 easyblock.py:318 INFO Closing log for application name AmberTools version 22.3 |
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