From 0bacfffb32bf65449bb07d1fb8b7031adfde75d6 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sun, 20 Dec 2015 01:21:51 +0100 Subject: [PATCH] build.ninja in ocaml --- ocaml/_tags | 6 ------ scripts/compile_irpf90.sh | 2 +- src/det.irp.f | 6 ++---- 3 files changed, 3 insertions(+), 11 deletions(-) delete mode 100644 ocaml/_tags diff --git a/ocaml/_tags b/ocaml/_tags deleted file mode 100644 index b8a5216..0000000 --- a/ocaml/_tags +++ /dev/null @@ -1,6 +0,0 @@ -true: package(core,sexplib.syntax,cryptokit,str,ZMQ) -true: thread -true:rpath -#true: static - - diff --git a/scripts/compile_irpf90.sh b/scripts/compile_irpf90.sh index e61583f..2b790d5 100755 --- a/scripts/compile_irpf90.sh +++ b/scripts/compile_irpf90.sh @@ -29,7 +29,7 @@ then LIB="${LIB} ${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt" SRC="${SRC} ZMQ/f77_zmq_module.f90" OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o" - INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I TESTING -I MAIN -I PROPERTIES -I ZMQ" + INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ" IRPF90_FLAGS="${IRPF90_FLAGS} --ninja" # Check IRPF90 version diff --git a/src/det.irp.f b/src/det.irp.f index 4d5de55..6d00b8c 100644 --- a/src/det.irp.f +++ b/src/det.irp.f @@ -853,9 +853,8 @@ END_PROVIDER ! Avoid NaN if (ddet /= 0.d0) then - n_updated_det += 1.d0 + continue else - n_inverted_det += 1.d0 do j=1,mo_closed_num !DIR$ VECTOR ALIGNED !DIR$ LOOP COUNT(100) @@ -964,9 +963,8 @@ END_PROVIDER ! Avoid NaN if (ddet /= 0.d0) then - n_updated_det += 1.d0 + continue else - n_inverted_det += 1.d0 do j=1,mo_closed_num !DIR$ VECTOR UNALIGNED !DIR$ LOOP COUNT (100)