From 6e44bd43aea761f4128a2f96003df3fad82d514a Mon Sep 17 00:00:00 2001 From: yyyaaa111 <2393110978@qq.com> Date: Wed, 10 Dec 2025 09:06:11 +0000 Subject: [PATCH] =?UTF-8?q?update=20templates/vasp/6.5.1/data.vasp.arm=5Fc?= =?UTF-8?q?lang.cpu.config.=20vasp6.5.1=E7=89=88=E6=9C=AC=E6=BA=90?= =?UTF-8?q?=E7=A0=81=E6=9B=B4=E6=96=B0=EF=BC=8C=E6=B2=A1=E6=9C=89fftmpiw?= =?UTF-8?q?=E7=AD=89=E6=BA=90=E7=A0=81=E6=96=87=E4=BB=B6?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Signed-off-by: yyyaaa111 <2393110978@qq.com> --- templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config | 6 +----- 1 file changed, 1 insertion(+), 5 deletions(-) diff --git a/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config b/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config index a48fd7ca..5b138a21 100644 --- a/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config +++ b/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config @@ -47,7 +47,7 @@ set -x module purge module use software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule -module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/hmpi${HMPI_VERSION}/release module load bisheng/kml${HMPI_VERSION}/kml module load bisheng/kml${HMPI_VERSION}/kblas/multi export HPCKIT_PATH=$JARVIS_UTILS/hpckit/${HMPI_VERSION} @@ -93,10 +93,6 @@ OFLAG = -O3 -ffp-contract=fast -ffpe-trap=invalid,zero,overflow OFLAG_IN = \$(OFLAG) DEBUG = -O0 BLAS = $blas_path -OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o -OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o -OBJECTS_O2 += fft3dlib.o - # For what used to be vasp.5.lib CPP_LIB = \$(CPP) -- Gitee