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Merge pull request #1079 from edoapra/ga59pull

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Global Arrays 5.9
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NWChem: Open Source High-Performance Computational Chemistry 2025-02-13 11:12:21 -08:00 • committed by GitHub
commit bb2b2ebf12
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4 changed files with 28 additions and 19 deletions
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2
src/tools/GNUmakefile
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@ -618,7 +618,7 @@ ifdef USE_GAGITHUB
GET_TOOLS=./get-tools-github
ifdef USE_GA_RELEASE
ifndef GA_RELEASE_NO
GA_RELEASE_NO=5.8.2
GA_RELEASE_NO=5.9
endif
GA_DIR=ga-$(GA_RELEASE_NO)
else

17
src/tools/gasparse_patch.sh Executable file
View file

@ -0,0 +1,17 @@
#!/usr/bin/env bash
rm -f gasparse.patch
cat > gasparse.patch <<EOF
--- $1/global/src/sparse.array.c
+++ $1/global/src/sparse.array.c
@@ -2738,7 +2738,7 @@
/* Set up global arrays to hold distributed indices and non-zero values */
{
int64_t isize = (rowdim+1)*nblocks;
- int64_t totalsize = 0;
+ Integer totalsize = 0;
Integer ndim = 1;
Integer *offset = (Integer*)malloc(nprocs*sizeof(Integer));
Integer *tmp = (Integer*)malloc(nprocs*sizeof(Integer));
EOF
patch -p0 -s -N < gasparse.patch
echo gasparse.patch applied

26
src/tools/get-tools-github
View file

@ -76,8 +76,8 @@ TOOLGIT=`which git`
CONFIG=$NWCHEM_TOP/src/config/makefile.h
if test "x$DEV_GA" != x
then
GA_DIR=ga-5.8.2
GA_BRANCH=hotfix/5.8.2
GA_DIR=ga-5.9
GA_BRANCH=5.9
fi
if test "x$GA_BRANCH" = x
then
@ -87,7 +87,7 @@ if test "x$USE_GA_RELEASE" != x
then
if test "x$GA_RELEASE_NO" = x
then
GA_RELEASE_NO=5.8.2
GA_RELEASE_NO=5.9
fi
GA_DIR=ga-"$GA_RELEASE_NO"
if [ ! -f ga-"$GA_RELEASE_NO".tar.gz ]; then
@ -147,8 +147,8 @@ else
GA_DIR=`echo $GA_DIR0 | sed -e 's/\//_/g'`
fi
else
GA_DIR=ga-5.8.2
GA_BRANCH=hotfix/5.8.2
GA_DIR=ga-5.9
GA_BRANCH=5.9
fi
fi
if test "x$GA_URL" != x
@ -200,19 +200,11 @@ if [[ -z "${CC}" ]]; then
CC=cc
fi
GOTMINGW64=` $CC -dM -E - </dev/null 2> /dev/null |grep MINGW64|cut -c21 `
if [[ -d "ga-5.8.2" ]]; then
if [[ ! -f "ga-5.8.2/patched581" ]]; then
./gamalloc_patch.sh $GA_DIR
./peigstubs_patch.sh $GA_DIR
./mpipr-too-many_patch.sh $GA_DIR
./ga_ma_align_patch.sh $GA_DIR
./scalapacki4_patch.sh $GA_DIR
./ga_diag_seg_i4_patch.sh $GA_DIR
if [ $(uname -s) != "Darwin" ]; then
./autoconf_patch.sh $GA_DIR
fi
if [[ -d "ga-5.9" ]]; then
if [[ ! -f "ga-5.9/patched59" ]]; then
./gasparse_patch.sh $GA_DIR
echo patched
touch ga-5.8.2/patched581
touch ga-59/patched59
fi
fi
#if [ ! -z "$GOTMINGW64" ]

2
travis/build_env.sh
View file

@ -267,7 +267,7 @@ if [[ "$os" == "Linux" ]]; then
fi
if [[ "$FC" == "amdflang" ]]; then
$MYSUDO apt-get install -y wget gnupg2 coreutils dialog tzdata
rocm_version=5.6.1
rocm_version=6.2.4
tries=0 ; until [ "$tries" -ge 10 ] ; do \
wget -q -O - https://repo.radeon.com/rocm/rocm.gpg.key | $MYSUDO apt-key add - \
&& break ; \