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* Modifications for building armci-mpi on the Wahab's install location.

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Wirawan Purwanto
2021-04-15 12:40:01 -04:00
parent 8cf081b4b1
commit 08dfff3ce4
1 changed files with 5 additions and 8 deletions
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13
wahab/builds/nwchem/build-armci-mpi.sh
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@@ -1,12 +1,10 @@
#!/bin/bash
source /etc/container_runtime/buildtime
# Root directory for the entire newchem-specific software stack:
NW_ROOTDIR=/shared/apps/manual/nwchem/7.0.0/gcc7.3-openmpi3.1.4
load_conda
export CC=x86_64-conda_cos6-linux-gnu-gcc
export CXX=x86_64-conda_cos6-linux-gnu-g++
export FC=x86_64-conda_cos6-linux-gnu-gfortran
load_mpich
#source /etc/container_runtime/buildtime
module load openmpi/3.1.4
export CC=mpicc
export CXX=mpicxx
@@ -16,13 +14,12 @@ export MPICC=mpicc
export MPICXX=mpicxx
export MPIFC=mpifort
ARMCI_MPI_ROOT=/opt/armci-mpi
ARMCI_MPI_ROOT=$NW_ROOTDIR/armci-mpi
echo PATH=$PATH
[ -d $ARMCI_MPI_ROOT ] || git clone https://github.com/pmodels/armci-mpi $ARMCI_MPI_ROOT
cd $ARMCI_MPI_ROOT
autoreconf -i