From 8c3a03c19320de9d3e480691e3d4da00dd6bff75 Mon Sep 17 00:00:00 2001 From: helloworld664 <3226476857@qq.com> Date: Fri, 5 Dec 2025 14:00:58 +0800 Subject: [PATCH] =?UTF-8?q?1.=20=E6=81=A2=E5=A4=8Dvasp5.4.4=E5=AE=89?= =?UTF-8?q?=E8=A3=85=E8=84=9A=E6=9C=AC=202.=20=E5=AE=8C=E5=96=84readme?= =?UTF-8?q?=E6=8F=8F=E8=BF=B0?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- README.md | 2 +- templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config | 4 +--- 2 files changed, 2 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 198cdeb6..85355c7c 100644 --- a/README.md +++ b/README.md @@ -56,7 +56,7 @@ source init.sh 步骤2:生效应用模板 进入hpcrunner根目录执行如下命令: ``` -./jarvis -use /path/xapp.config +./jarvis -use templates/xapp.config ``` 注:贾维斯中包含典型HPC应用模板, 位于目录”hpcrunner/template”中,可直接使用。如要新增应用模板,需遵循一定的格式新建自定义文件app.config。 diff --git a/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config b/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config index c29dd983..02591402 100644 --- a/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config +++ b/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config @@ -15,8 +15,6 @@ rm -rf vasp.5.4.4 tar -zxvf ${JARVIS_DOWNLOAD}/vasp.5.4.4.tar.gz [ENV] -set -e -set -x module purge module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule @@ -24,7 +22,7 @@ module load bisheng/hmpi${HMPI_VERSION} module load bisheng/kml${HMPI_VERSION}/kml module load bisheng/kml${HMPI_VERSION}/kblas/multi -export HPCKIT_PATH=$JARVIS_COMPILER/hpckit/${HPCKIT_VERSION} +export HPCKIT_PATH=$JARVIS_UTILS/hpckit/${HPCKIT_VERSION} export KML_LIB=${HPCKIT_PATH}/HPCKit/${HPCKIT_VERSION}/kml/bisheng/lib export KML_PATH=${HPCKIT_PATH}/HPCKit/${HPCKIT_VERSION}/kml export LD_LIBRARY_PATH=${KML_LIB}/noarch:${KML_LIB}/${kp}:$LD_LIBRARY_PATH -- Gitee