PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-03 12:43:48 +01:00
Code Releases Activity

Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable

Browse Source
This commit is contained in:
Anthony Scemama 2024-04-03 16:59:31 +02:00
commit 3d5788d370
2 changed files with 6 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
configure vendored
View File

@ -9,7 +9,7 @@ echo "QP_ROOT="$QP_ROOT
unset CC unset CC
unset CCXX unset CCXX
TREXIO_VERSION=2.3.2 TREXIO_VERSION=2.4.2
# Force GCC instead of ICC for dependencies # Force GCC instead of ICC for dependencies
export CC=gcc export CC=gcc
@ -219,7 +219,7 @@ EOF
tar -zxf trexio-${VERSION}.tar.gz && rm trexio-${VERSION}.tar.gz tar -zxf trexio-${VERSION}.tar.gz && rm trexio-${VERSION}.tar.gz
cd trexio-${VERSION} cd trexio-${VERSION}
./configure --prefix=\${QP_ROOT} --without-hdf5 CFLAGS='-g' ./configure --prefix=\${QP_ROOT} --without-hdf5 CFLAGS='-g'
make -j 8 && make -j 8 check && make -j 8 install (make -j 8 || make) && make check && make -j 8 install
tar -zxvf "\${QP_ROOT}"/external/qp2-dependencies/${ARCHITECTURE}/ninja.tar.gz tar -zxvf "\${QP_ROOT}"/external/qp2-dependencies/${ARCHITECTURE}/ninja.tar.gz
mv ninja "\${QP_ROOT}"/bin/ mv ninja "\${QP_ROOT}"/bin/
EOF EOF
@ -233,7 +233,7 @@ EOF
tar -zxf trexio-${VERSION}.tar.gz && rm trexio-${VERSION}.tar.gz tar -zxf trexio-${VERSION}.tar.gz && rm trexio-${VERSION}.tar.gz
cd trexio-${VERSION} cd trexio-${VERSION}
./configure --prefix=\${QP_ROOT} CFLAGS="-g" ./configure --prefix=\${QP_ROOT} CFLAGS="-g"
make -j 8 && make -j 8 check && make -j 8 install (make -j 8 || make) && make check && make -j 8 install
EOF EOF
elif [[ ${PACKAGE} = qmckl ]] ; then elif [[ ${PACKAGE} = qmckl ]] ; then
@ -245,7 +245,7 @@ EOF
tar -zxf qmckl-${VERSION}.tar.gz && rm qmckl-${VERSION}.tar.gz tar -zxf qmckl-${VERSION}.tar.gz && rm qmckl-${VERSION}.tar.gz
cd qmckl-${VERSION} cd qmckl-${VERSION}
./configure --prefix=\${QP_ROOT} --enable-hpc --disable-doc CFLAGS='-g' ./configure --prefix=\${QP_ROOT} --enable-hpc --disable-doc CFLAGS='-g'
make && make -j 4 check && make install (make -j 8 || make) && make check && make install
EOF EOF
elif [[ ${PACKAGE} = qmckl-intel ]] ; then elif [[ ${PACKAGE} = qmckl-intel ]] ; then
@ -257,7 +257,7 @@ EOF
tar -zxf qmckl-${VERSION}.tar.gz && rm qmckl-${VERSION}.tar.gz tar -zxf qmckl-${VERSION}.tar.gz && rm qmckl-${VERSION}.tar.gz
cd qmckl-${VERSION} cd qmckl-${VERSION}
./configure --prefix=\${QP_ROOT} --enable-hpc --disable-doc --with-icc --with-ifort CFLAGS='-g' ./configure --prefix=\${QP_ROOT} --enable-hpc --disable-doc --with-icc --with-ifort CFLAGS='-g'
make && make -j 4 check && make install (make -j 8 || make) && make check && make install
EOF EOF

2
src/utils/memory.irp.f
View File

@ -107,7 +107,7 @@ subroutine check_mem(rss_in,routine)
double precision, intent(in) :: rss_in double precision, intent(in) :: rss_in
character*(*) :: routine character*(*) :: routine
double precision :: mem double precision :: mem
call total_memory(mem) call resident_memory(mem)
mem += rss_in mem += rss_in
if (mem > qp_max_mem) then if (mem > qp_max_mem) then
call print_memory_usage() call print_memory_usage()