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

Added the first tutorial for plugins

configure

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

src/ccsd/ccsd_t_space_orb_stoch.irp.f

@@ -110,6 +110,7 @@ subroutine ccsd_par_t_space_stoch(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energ
   double precision :: eocc
   double precision :: norm
   integer :: isample
+  PROVIDE nthreads_pt2
 
 
   ! Prepare table of triplets (a,b,c)
@@ -216,11 +217,12 @@ subroutine ccsd_par_t_space_stoch(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energ
   print '(A)', ' ======================= ============== =========='
 
 
+  call set_multiple_levels_omp(.False.)
   call wall_time(t00)
   imin = 1_8
   !$OMP PARALLEL                                                     &
       !$OMP PRIVATE(ieta,eta,a,b,c,kiter,isample)                    &
-      !$OMP DEFAULT(SHARED)
+      !$OMP DEFAULT(SHARED) NUM_THREADS(nthreads_pt2)
 
   do kiter=1,Nabc
 

src/utils/memory.irp.f

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