new lammps for F32 with some optimizations (ea95ecb9) · Commits · ww8it / module-environment

dealii/90

+1 −1

Original line number	Diff line number	Diff line
		@@ -9,5 +9,5 @@ module load p4est/2.0
		module load parmetis/4.0.3
		module load petsc/3.7.6a-lite
		module load trilinos/12.14.1-deal90-mpi
		module load hdf5/1.8.20-system-mpi
		module load hdf5/1.10.5-system-mpi
		module load dealii/9.0.0-tri-petsc-hdf5-mpi-dbg

+13 −13

Original line number	Diff line number	Diff line
		@@ -8,11 +8,11 @@ proc ModulesHelp { } {
		global version

		puts stderr "\tAdds 'LAMMPS' to your PATH environment variable"
		puts stderr "\n\tDescription This LAMMPS contains atomistica. It was build for Fedora 29"
		puts stderr "\n\tDescription This LAMMPS was build for Fedora 32"
		puts stderr "\n\tVersion $version\n"
		}

		module-whatis "activates the Plugins for LAMMPS $version including Atomistica (some optimization)"
		module-whatis "activates the Plugins for LAMMPS $version (some optimization for avx)"

+4 −4

Original line number	Diff line number	Diff line
		@@ -8,11 +8,11 @@ proc ModulesHelp { } {
		global version

		puts stderr "\tAdds 'LAMMPS' to your PATH environment variable"
		puts stderr "\n\tDescription This LAMMPS contains atomistica. It was build for Fedora 29"
		puts stderr "\n\tDescription This LAMMPS was build for Fedora 32"
		puts stderr "\n\tVersion $version\n"
		}

		module-whatis "activates the Plugins for LAMMPS $version including Atomistica (some optimization)"
		module-whatis "activates the Plugins for LAMMPS $version (some optimization for avx2)"

0 → 100644

+35 −0

Original line number	Diff line number	Diff line
		#%Module 1.0
		#
		# LAMMPS module for use with 'environment-modules' package:
		#
		set version "20200303"

		proc ModulesHelp { } {
		global version

		puts stderr "\tAdds 'LAMMPS' to your PATH environment variable"
		puts stderr "\n\tDescription This LAMMPS was build for Fedora 32"
		puts stderr "\n\tVersion $version\n"
		}

		module-whatis "activates the Plugins for LAMMPS $version (some optimization for avx2)"



		conflict lammps

		module load mpi/openmpi-x86_64

		set pkghome /opt/apps/lammps/lmp202003_avx2

		setenv LAMMPS_BASE $pkghome
		setenv LAMMPS_VERSION $version

		# Workaround for openmpi 2.0/2.1 bug
		#setenv OMPI_MCA_btl_vader_single_copy_mechanism none

		prepend-path PATH "$pkghome"
		#prepend-path LD_LIBRARY_PATH $pkghome


		unset pkghome