diff --git a/config/gfortran.cfg b/config/gfortran.cfg index b713aaf0..6e69033c 100644 --- a/config/gfortran.cfg +++ b/config/gfortran.cfg @@ -10,7 +10,7 @@ # # [COMMON] -FC : gfortran -g -ffree-line-length-none -I . -static-libgcc +FC : gfortran -mavx -g -ffree-line-length-none -I . -static-libgcc LAPACK_LIB : -llapack -lblas IRPF90 : irpf90 IRPF90_FLAGS : --ninja --align=32 @@ -22,7 +22,7 @@ IRPF90_FLAGS : --ninja --align=32 # 0 : Deactivate # [OPTION] -MODE : DEBUG ; [ OPT | PROFILE | DEBUG ] : Chooses the section below +MODE : OPT ; [ OPT | PROFILE | DEBUG ] : Chooses the section below CACHE : 1 ; Enable cache_compile.py OPENMP : 1 ; Append OpenMP flags diff --git a/src/Determinants/H_apply.template.f b/src/Determinants/H_apply.template.f index 58ae8b08..2611fb12 100644 --- a/src/Determinants/H_apply.template.f +++ b/src/Determinants/H_apply.template.f @@ -108,13 +108,13 @@ subroutine $subroutine_diexcP(key_in, fs1, fh1, particl_1, fs2, fh2, particl_2, p1_mask(:,:) = 0_bit_kind p2_mask(:,:) = 0_bit_kind - p1_mask(ishft(fh1,-bit_kind_shift) + 1, fs1) = ishft(1,iand(fh1-1,bit_kind_size-1)) - p2_mask(ishft(fh2,-bit_kind_shift) + 1, fs2) = ishft(1,iand(fh2-1,bit_kind_size-1)) + p1_mask(ishft(fh1-1,-bit_kind_shift) + 1, fs1) = ishft(1_8,iand(fh1-1,bit_kind_size-1)) + p2_mask(ishft(fh2-1,-bit_kind_shift) + 1, fs2) = ishft(1_8,iand(fh2-1,bit_kind_size-1)) key_mask(:,:) = key_in(:,:) - key_mask(ishft(fh1,-bit_kind_shift) + 1, fs1) -= ishft(1,iand(fh1-1,bit_kind_size-1)) - key_mask(ishft(fh2,-bit_kind_shift) + 1, fs2) -= ishft(1,iand(fh2-1,bit_kind_size-1)) + key_mask(ishft(fh1-1,-bit_kind_shift) + 1, fs1) -= ishft(1_8,iand(fh1-1,bit_kind_size-1)) + key_mask(ishft(fh2-1,-bit_kind_shift) + 1, fs2) -= ishft(1_8,iand(fh2-1,bit_kind_size-1)) call $subroutine_diexcOrg(key_in, key_mask, p1_mask, particl_1, p2_mask, particl_2, fock_diag_tmp, i_generator, iproc_in $parameters ) end subroutine