Merge pull request #914 from edoapra/flaccid-fraction

fixes for OpenBLAS and simd check
nwchemgit · Nov 24, 2023 · dc7962f · dc7962f
2 parents 9465234 + 1f3dc2f
commit dc7962f
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Showing 4 changed files with 26 additions and 11 deletions.
diff --git a/src/NWints/simint/libsimint_source/build_simint.sh b/src/NWints/simint/libsimint_source/build_simint.sh
@@ -32,8 +32,8 @@ else
     arch=$(uname -m)
 fi
 if [[ ${UNAME_S} == Linux ]]; then
-    CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |tail -n 1)
-    CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |tail -n 1)
+    CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |grep -v vmx\ f |tail -n 1)
+    CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags | grep -v vmx\ f |tail -n 1)
 elif [[ ${UNAME_S} == Darwin ]]; then
     CPU_FLAGS=$(sysctl -n machdep.cpu.features)
     if [[ "$arch" == "x86_64" ]]; then
@@ -43,6 +43,8 @@ else
     echo Operating system not supported yet
     exit 1
 fi
+echo CPU_FLAGS $CPU_FLAGS
+echo CPU_FLAGS_2 $CPU_FLAGS_2
   GOTSSE2=$(echo ${CPU_FLAGS}   | tr  'A-Z' 'a-z'| awk ' /sse2/   {print "Y"}')
    GOTAVX=$(echo ${CPU_FLAGS}   | tr  'A-Z' 'a-z'| awk ' /avx/    {print "Y"}')
   GOTAVX2=$(echo ${CPU_FLAGS_2} | tr  'A-Z' 'a-z'| awk ' /avx2/   {print "Y"}')

diff --git a/src/config/oblas_ompcheck.sh b/src/config/oblas_ompcheck.sh
@@ -9,10 +9,18 @@ mylog=/tmp/mylog.txt
 NWCHEM_TOP=$1
 file_check=$NWCHEM_TOP/src/oblas_ompcheck_done.txt
 if [ -f $file_check ]; then
-    echo $file_check present >> $mylog
+#    echo $file_check present >> $mylog
     cat $file_check
     exit 0
 fi
+echo BLASOPT is $BLASOPT >> $mylog
+if [[  -z "${BLASOPT}" ]]; then
+    echo BLASOPT is empty >> $mylog
+    echo 0 >  $NWCHEM_TOP/src/oblas_ompcheck_done.txt
+    exit 0
+else
+    echo BLASOPT is not empty @$BLASOPT@ >> $mylog
+fi
 #extract oblas_dir & oblas_name from BLASOPT
 # 
 oblas_dir=$(echo $BLASOPT | awk 'sub(/.*-L */,""){f=1} f{if ( sub(/ * .*/,"") ) f=0; print}')
@@ -27,11 +35,16 @@ else
     SOSUFFIX=so
 fi
 # check first against clang libomp
-gotomp=$($MYLDD $oblas_dir/lib$oblas_name.$SOSUFFIX | grep libomp | wc -l )
-# next check against gcc libgomp
-if [ $gotomp -eq 0 ]
+if [ -f "$oblas_dir/lib$oblas_name.$SOSUFFIX" ]; 
 then
-gotomp=$($MYLDD $oblas_dir/lib$oblas_name.$SOSUFFIX | grep libgomp | wc -l )
+    gotomp=$($MYLDD $oblas_dir/lib$oblas_name.$SOSUFFIX | grep libomp | wc -l )
+# next check against gcc libgomp
+    if [ $gotomp -eq 0 ]
+    then
+	gotomp=$($MYLDD $oblas_dir/lib$oblas_name.$SOSUFFIX | grep libgomp | wc -l )
+    fi
+else
+    gotomp=0
 fi
 echo gotomp $gotomp >> $mylog
 #conda packages might use OpenMP to thread OpenBLAS

diff --git a/src/libext/openblas/build_openblas.sh b/src/libext/openblas/build_openblas.sh
@@ -33,8 +33,8 @@ if [[  -z "${FORCETARGET}" ]]; then
 FORCETARGET=" "
 UNAME_S=$(uname -s)
 if [[ ${UNAME_S} == Linux ]]; then
-    CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |tail -n 1)
-    CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |tail -n 1)
+    CPU_FLAGS=$(cat /proc/cpuinfo | grep flags | grep -v vmx\ f |tail -n 1)
+    CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags | grep -v vmx\ f |tail -n 1)
 elif [[ ${UNAME_S} == Darwin ]]; then
     CPU_FLAGS=$(/usr/sbin/sysctl -n machdep.cpu.features)
     if [[ "$arch" == "x86_64" ]]; then

diff --git a/travis/guess_simd.sh b/travis/guess_simd.sh
@@ -2,8 +2,8 @@
 UNAME_S=$(uname -s)
 arch=`uname -m`
 if [[ ${UNAME_S} == Linux ]]; then
-    CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |tail -n 1)
-    CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |tail -n 1)
+    CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |grep -v vmx\ flags |tail -n 1)
+    CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |grep -v vmx\ flags |tail -n 1)
 elif [[ ${UNAME_S} == Darwin ]]; then
     CPU_FLAGS=$(/usr/sbin/sysctl -n machdep.cpu.features)
     if [[ "$arch" == "x86_64" ]]; then