From fa7c900a0da1950420a880b69c5d39a0f4ae3c3f Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <18848977154@163.com>
Date: Mon, 9 Jun 2025 16:48:37 +0800
Subject: [PATCH] dlPoly

---
 .../1.1/dl_poly.arm.cpu.bisheng.hmpi.config   | 57 +++++++++++++++++++
 1 file changed, 57 insertions(+)
 create mode 100644 templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config

diff --git a/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config b/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config
new file mode 100644
index 0000000..d096daa
--- /dev/null
+++ b/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config
@@ -0,0 +1,57 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+dl_poly/1.1 https://gitlab.com/DL_POLY_Classic/dl_poly/-/archive/RELEASE-1-10/dl_poly-RELEASE-1-10.tar.gz dl_poly-RELEASE-1-10.tar.gz
+TEST41 https://gitlab.com/DL_POLY_Classic/tests/-/raw/master/TEST41.tar.gz TEST41.tar.gz
+
+[DEPENDENCY]
+set -e
+set -x
+yum install -y make cmake
+module purge
+./jarvis -install bisheng/4.1.0 com
+module use ./software/modulefiles
+module load bisheng/4.1.0
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
+./jarvis -install hmpi/2.4.2 clang
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
+tar -vzxf ${JARVIS_DOWNLOAD}/dl_poly-RELEASE-1-10.tar.gz
+tar -vzxf ${JARVIS_DOWNLOAD}/TEST41.tar.gz
+
+[ENV]
+module purge
+module use ./software/modulefiles
+module load bisheng/4.1.0
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
+
+[APP]
+app_name = diamond
+build_dir = ${JARVIS_ROOT}/dl_poly-RELEASE-1-10/source/
+binary_dir = ${JARVIS_ROOT}/dl_poly-RELEASE-1-10/execute
+case_dir = ${JARVIS_ROOT}/TEST41/NHC/
+
+[BUILD]
+cp ../build/MakePAR ./Makefile
+sed -i '65c\        FC=mpif90 FFLAGS="-c -O3 -march=armv8.2-a -mtune=tsv110" \\' Makefile
+make dlpoly
+
+[CLEAN]
+make clean
+
+[RUN]
+run = mpirun --allow-run-as-root -np 8 -mca btl ^openib
+binary = DLPOLY.X
+nodes = 1
+
+[PERF]
+perf= 
+nsys=
+ncu=--target-processes all
-- 
Gitee