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[build-system]
requires = ["hatchling", "jupyterlab~=3.6"]
build-backend = "hatchling.build"

[project]
name = "hatch-playground"
description = ''
readme = "README.md"
requires-python = ">=3.7"
license = "MIT"

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#!/bin/bash -eo pipefail
# PLATFORM CHECK: mac vs. alpine vs. other linux

SYS_ENV_PLATFORM=linux
if uname -a | grep Darwin; then
  SYS_ENV_PLATFORM=darwin
elif cat /etc/issue | grep Alpine; then
  SYS_ENV_PLATFORM=alpine
fi

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 argument  1 = h3tr1.nw
                                         
                                         


             Northwest Computational Chemistry Package (NWChem) 7.0.0
             --------------------------------------------------------


                    Environmental Molecular Sciences Laboratory

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This file contains any messages produced by compilers while
running configure, to aid debugging if configure makes a mistake.

It was created by Global Arrays (GA) configure 5.7.1, which was
generated by GNU Autoconf 2.69.  Invocation command line was

  $ ../ga-5.7.1/configure --prefix=/home/davidlq2/Repositories/nwchem-7.0.0/src/tools/install --with-tcgmsg --with-mpi=-I/opt/openmpi/include -I/opt/openmpi/lib -L/opt/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -libverbs -ldat -lrt -lnsl -lutil -lm -ldl -lm -lrt -lnsl -lutil -lm -ldl --enable-peigs --enable-underscoring --disable-mpi-tests --without-scalapack --with-lapack=-lopenblas --with-blas4=-L/home/davidlq2/.local/lib -lopenblas --with-mpi-pr CC=/share/apps/gcc/gcc-9.2.0/bin/gcc CXX=/share/apps/gcc/gcc-9.2.0/bin/g++ F77=/share/apps/gcc/gcc-9.2.0/bin/gfortran ARMCI_DEFAULT_SHMMAX_UBOUND=131072

## --------- ##
## Platform. ##

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Random "Freezing" with AMD Ryzen CPUs

It seems that numerous GNU/Linux users (including myself) have been having issues with the system randomly "freezing" during light usage. From journalctl output and anecdotal accounts, it is speculated that the AMD Ryzen CPUs do not support other C-states for power management very well (at least on GNU/Linux distributions), and the freezing may be resolved by limiting the C-state of the CPU.

Possible Solution

Limiting the C-state of the CPU can be done through the addition of the following kernel boot parameter.

processor.max_cstate=1