From 23cc8abcc05838f2d6a8ae8a310428829c308c34 Mon Sep 17 00:00:00 2001 From: Zerry <996002763@qq.com> Date: Mon, 14 Apr 2025 15:44:05 +0800 Subject: [PATCH] =?UTF-8?q?=E6=96=B0=E5=A2=9E=E8=BD=AF=E4=BB=B6vaspkit-0.5?= =?UTF-8?q?2?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .../0.52/data.vaspkit.arm-920.cpu.config | 49 +++++++++++++++++++ 1 file changed, 49 insertions(+) create mode 100644 templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config diff --git a/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config b/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config new file mode 100644 index 0000000..c650cb9 --- /dev/null +++ b/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config @@ -0,0 +1,49 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +vaspkit/0.52 https://sourceforge.net/projects/vaspkit/files/Src/vaspkit.0.52.tar.gz + +[DEPENDENCY] +yum install make cmake gcc g++ -y + +module purge +./jarvis -install bisheng/4.1.0 com +module use ./software/modulefiles +module load bisheng/4.1.0 +export CC=clang CXX=clang++ FC=flang + +cd ${JARVIS_TMP_DOWNLOAD} +rm -rf vaspkit-0.52 +tar -xzvf ${JARVIS_DOWNLOAD}/vaspkit.0.52.tar.gz + +[ENV] +module purge +module use ./software/modulefiles +module load bisheng/4.1.0 + +[APP] +app_name = vaspkit +build_dir = ${JARVIS_TMP_DOWNLOAD}/vaspkit.0.52/ +binary_dir = ${JARVIS_TMP_DOWNLOAD}vaspkit.0.52/src/ +case_dir = + +[BUILD] +sed -i "6c FC=flang" make.inc +sed -i "12c CC=clang" make.inc +cd src +make + +[CLEAN] +cd src +make clean + +[RUN] +run = +binary = vaspkit +nodes = 1 + +[PERF] +perf= +nsys= +ncu= -- Gitee