Commit 0445e68d authored by Caubet Serrabou Marc's avatar Caubet Serrabou Marc

openmpi

parent 4c258b89
......@@ -23,35 +23,24 @@ pbuild::pre_configure() {
pbuild::add_configure_args "--enable-shared"
pbuild::add_configure_args "--enable-static"
pbuild::add_configure_args "--with-sge=yes"
pbuild::add_configure_args "--with-ucx"
pbuild::add_configure_args "--with-hwloc=internal"
pbuild::add_configure_args "--with-slurm=yes"
if pbuild::use_flag slurm ; then
pbuild::add_configure_args "--with-pmi"
pbuild::add_configure_args "--with-pmi-libdir=/usr/lib64/"
fi
local version
(( version = (${V_MAJOR} * 100 + ${V_MINOR}) * 100 + V_PATCHLVL ))
if (( V_MAJOR < 4 )); then
pbuild::add_configure_args "--enable-mpi-f90"
pbuild::add_configure_args "--enable-mpi-profile"
pbuild::add_configure_args "--enable-smp-locks"
if (( version >= 30104 )); then
# 18.11.2019 by caubet_m
pbuild::add_configure_args "--with-pmi"
pbuild::add_configure_args "--with-pmi-libdir=/usr/lib64/"
pbuild::add_configure_args "--with-pmix=/opt/pmix/2.2.3"
pbuild::add_configure_args "--with-pmix-libdir=/opt/pmix/2.2.3/lib64/"
pbuild::add_configure_args "--enable-install-libpmix"
pbuild::add_configure_args "--with-hwloc"
pbuild::add_configure_args "--with-libevent"
pbuild::add_configure_args "--with-ucx"
fi
elif (( V_MAJOR >= 4 )); then
pbuild::add_configure_args "--enable-mpi-fortran"
# 18.11.2019 by caubet_m
pbuild::add_configure_args "--with-pmi"
pbuild::add_configure_args "--with-pmi-libdir=/usr/lib64/"
pbuild::add_configure_args "--with-pmix=/opt/pmix/2.2.3"
pbuild::add_configure_args "--with-pmix-libdir=/opt/pmix/2.2.3/lib64/"
pbuild::add_configure_args "--enable-install-libpmix"
pbuild::add_configure_args "--with-hwloc"
pbuild::add_configure_args "--with-libevent"
pbuild::add_configure_args "--with-ucx"
pbuild::add_configure_args "--without-verbs"
fi
}
......@@ -62,8 +51,6 @@ pbuild::post_install() {
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/libnuma.so'
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/libibverbs.so'
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/librdmacm.so'
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/libpmix.so'
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/libhwloc.so'
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/libpmi.so'
pbuild::install_shared_libs "${binary}" "${PREFIX}/lib/fallback" '/libpmi2.so'
}
openmpi/3.1.4_merlin6 stable gcc/{7.4.0,8.3.0}
openmpi/3.1.5_merlin6 stable gcc/{7.4.0,8.3.0,9.2.0}
openmpi/3.1.5_merlin6 stable intel/{15.2,17.4,18.4}
openmpi/3.1.5-1_merlin6 stable gcc/{7.3.0,7.4.0,8.3.0,9.2.0}
openmpi/3.1.5-1_merlin6 stable intel/{15.2,17.4,18.4}
openmpi/3.1.5_slurm unstable gcc/{7.3.0,7.4.0,8.3.0,9.2.0}
openmpi/3.1.5_slurm unstable intel/{15.2,17.4,18.4}
openmpi/4.0.2_slurm unstable gcc/{7.3.0,7.4.0,8.3.0,9.2.0}
openmpi/4.0.2_slurm unstable intel/{15.2,17.4,18.4}
openmpi/4.0.3_slurm unstable gcc/{7.3.0,7.4.0,8.3.0,9.2.0}
openmpi/4.0.3_slurm unstable intel/{15.2,17.4,18.4}
openmpi/3.1.5_merlin6 deprecated gcc/{7.3.0,7.4.0,8.3.0,9.2.0}
openmpi/3.1.5_merlin6 deprecated intel/{15.2,17.4,18.4}
......@@ -29,12 +29,10 @@ set libibverbs [glob -nocomplain /usr/lib{64,}/libibverbs.so.1*]
set libnuma [glob -nocomplain /usr/lib{64,}/libnuma.so.1*]
set librdmacm [glob -nocomplain /usr/lib{64,}/librdmacm.so.1*]
set libucx [glob -nocomplain /usr/lib{64,}/libuc\[mpst\].so.0*]
set libhwloc [glob -nocomplain /usr/lib{64,}/libhwloc.so.5*]
set libpmi [glob -nocomplain /usr/lib{64,}/libpmi.so.0*]
set libpmi2 [glob -nocomplain /usr/lib{64,}/libpmi2.so.0*]
set libpmix [glob -nocomplain /opt/pmix/*/lib{64,}/libpmix.so.2*]
if { $libibverbs eq "" || $libnuma eq "" || $librdmacm eq "" || $libucx eq "" || $libpmix eq "" || $libhwloc eq "" || $libpmi eq "" || $libpmi2 eq "" } {
if { $libibverbs eq "" || $libnuma eq "" || $librdmacm eq "" || $libucx eq "" || $libpmi eq "" || $libpmi2 eq "" } {
if { [file isdirectory $PREFIX/lib/fallback] } {
prepend-path LD_LIBRARY_PATH $PREFIX/lib/fallback
}
......
gromacs/2019.3_sp stable gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0
gromacs/2019.5_sp unstable gcc/7.4.0 openmpi/3.1.5_merlin6 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0
......@@ -29,6 +29,10 @@ pbuild::pre_configure() {
else
pbuild::add_configure_args "-DGMX_GPU=off"
fi
# To remove: pbuild::add_configure_args "-DGMX_SIMD=SSE2"
# For GMX_SIMD the lowest instruction number you think might work on all nodes
# |- Available numbers: http://manual.gromacs.org/documentation/2020/install-guide/index.html#simd-support
# |- AVX_512 is only for newest Intel processors (Xeon Scalable Gold, Core i9, etc.)
# AVX_512 will not work on old GPUs, this is why we chood AVX2_256 which are processors from 2013
pbuild::add_configure_args "-DGMX_SIMD=AVX2_256"
pbuild::add_configure_args "-DGMX_BUILD_OWN_FFTW=on"
}
......@@ -28,3 +28,5 @@ hdf5/1.10.4 stable gcc/8.3.0 openmpi/3.1.3
hdf5/1.10.4 stable pgi/18.5 pgi-mpi/18.5
hdf5/1.10.4 stable gcc/7.3.0 mpich/3.3
hdf5/1.10.6 stable gcc/7.4.0 openmpi/3.1.5_merlin6
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