From 383c6ac78af4eaa0b4dc869aba9f4b80c9aad5d7 Mon Sep 17 00:00:00 2001
From: Aurelien Delval <a.delval87@gmail.com>
Date: Mon, 28 Mar 2022 07:58:01 +0200
Subject: [PATCH] Add OFFLOAD_FLAGS, OFFLOAD_CFLAGS and OFFLOAD_FCFLAGS vars to
 configure

---
 configure.ac          | 3 +++
 org/qmckl_jastrow.org | 2 ++
 2 files changed, 5 insertions(+)

diff --git a/configure.ac b/configure.ac
index 668fe2a..2993873 100644
--- a/configure.ac
+++ b/configure.ac
@@ -235,10 +235,13 @@ if test "$FC" = "verificarlo-f"; then
 fi
 
 # Enable GPU offloading
+
 # OpenMP offloading
 AC_ARG_ENABLE(openmp-offload, [AS_HELP_STRING([--openmp-offload],[Use OpenMP-offloaded functions])], HAVE_OPENMP_OFFLOAD=$enableval, HAVE_OPENMP_OFFLOAD=no)
 AS_IF([test "$HAVE_OPENMP_OFFLOAD" = "yes"], [
    AC_DEFINE([HAVE_OPENMP_OFFLOAD], [1], [If defined, activate OpenMP-offloaded routines])
+   CFLAGS="$OFFLOAD_FLAGS $OFFLOAD_CFLAGS $CFLAGS"
+   FCFLAGS="$OFFLOAD_FLAGS $OFFLOAD_FCFLAGS -DHAVE_OPENMP_OFFLOAD $FCFLAGS"
 ])
 
 AC_ARG_ENABLE(debug, [AS_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org
index f97464b..cf0903c 100644
--- a/org/qmckl_jastrow.org
+++ b/org/qmckl_jastrow.org
@@ -6654,6 +6654,7 @@ integer function qmckl_compute_factor_een_deriv_e_omp_offload_f(context, walk_nu
   factor_een_deriv_e = 0.0d0
 
   do nw =1, walk_num
+  !$omp target
   do n = 1, dim_cord_vect
     l = lkpm_combined_index(n, 1)
     k = lkpm_combined_index(n, 2)
@@ -6688,6 +6689,7 @@ integer function qmckl_compute_factor_een_deriv_e_omp_offload_f(context, walk_nu
       end do
     end do
   end do
+  !$omp end target
   end do
 
 end function qmckl_compute_factor_een_deriv_e_omp_offload_f