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https://github.com/TREX-CoE/qmckl.git
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Fix openacc
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parent
0966e1e2b1
commit
0d5d14b8e4
@ -256,7 +256,7 @@ AS_IF([test "$HAVE_OPENACC_OFFLOAD" = "yes"], [
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CFLAGS="$CFLAGS -fopenacc"
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CFLAGS="$CFLAGS -fopenacc"
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;;
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;;
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*nvc*)
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*nvc*)
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CFLAGS="$CFLAGS -acc"
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CFLAGS="$CFLAGS -acc=gpu"
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;;
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;;
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esac
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esac
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@ -266,7 +266,7 @@ AS_IF([test "$HAVE_OPENACC_OFFLOAD" = "yes"], [
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FCFLAGS="$FCFLAGS -fopenacc"
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FCFLAGS="$FCFLAGS -fopenacc"
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;;
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;;
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*nvfortran*)
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*nvfortran*)
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FCFLAGS="$FCFLAGS -acc"
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FCFLAGS="$FCFLAGS -acc=gpu"
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;;
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;;
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esac
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esac
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@ -282,7 +282,7 @@ AS_IF([test "$HAVE_CUBLAS_OFFLOAD" = "yes"], [
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CFLAGS="$CFLAGS -fopenacc"
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CFLAGS="$CFLAGS -fopenacc"
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;;
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;;
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*nvc*)
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*nvc*)
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CFLAGS="$CFLAGS -acc"
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CFLAGS="$CFLAGS -acc=gpu"
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;;
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;;
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esac
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esac
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@ -292,7 +292,7 @@ AS_IF([test "$HAVE_CUBLAS_OFFLOAD" = "yes"], [
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FCFLAGS="$FCFLAGS -fopenacc"
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FCFLAGS="$FCFLAGS -fopenacc"
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;;
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;;
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*nvfortran*)
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*nvfortran*)
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FCFLAGS="$FCFLAGS -acc"
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FCFLAGS="$FCFLAGS -acc=gpu"
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;;
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;;
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esac
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esac
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])
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])
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@ -5706,7 +5706,7 @@ qmckl_exit_code qmckl_compute_tmp_c_acc_offload (
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const int64_t size_e = walk_num*(cord_num+1)*elec_num*elec_num;
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const int64_t size_e = walk_num*(cord_num+1)*elec_num*elec_num;
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const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
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const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
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#pragma acc parallel create(tmp_c[0:size_tmp_c]) copyout(tmp_c [0:size_tmp_c]) copyin(een_rescaled_e[0:size_e], een_rescaled_n[0:size_n])
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#pragma acc parallel copyout(tmp_c [0:size_tmp_c]) copyin(een_rescaled_e[0:size_e], een_rescaled_n[0:size_n])
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{
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{
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#pragma acc loop independent gang worker vector
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#pragma acc loop independent gang worker vector
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for (int64_t i=0 ; i<size_tmp_c ; ++i)
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for (int64_t i=0 ; i<size_tmp_c ; ++i)
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@ -6178,7 +6178,7 @@ qmckl_exit_code qmckl_compute_dtmp_c_acc_offload (
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const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
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const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
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const int64_t size_e = walk_num*(cord_num+1)*elec_num*4*elec_num;
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const int64_t size_e = walk_num*(cord_num+1)*elec_num*4*elec_num;
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#pragma acc parallel create(dtmp_c[0:size_dtmp_c]) copyout(dtmp_c [0:size_dtmp_c]) copyin(een_rescaled_e_deriv_e[0:size_e], een_rescaled_n[0:size_n])
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#pragma acc parallel copyout(dtmp_c [0:size_dtmp_c]) copyin(een_rescaled_e_deriv_e[0:size_e], een_rescaled_n[0:size_n])
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{
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{
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#pragma acc loop independent gang worker vector
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#pragma acc loop independent gang worker vector
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for (int64_t i=0 ; i<size_dtmp_c ; ++i)
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for (int64_t i=0 ; i<size_dtmp_c ; ++i)
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