From 1abfea6f2267e39f57569acf62c3385fbf142b53 Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Sat, 20 Dec 2025 01:35:27 +0800
Subject: [PATCH] =?UTF-8?q?=E4=BF=AE=E5=A4=8Dtemplates/qe/6.4/data.qe.arm.?=
 =?UTF-8?q?cpu.config?=
MIME-Version: 1.0
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---
 templates/qe/6.4/data.qe.arm.cpu.config | 52 +++++++++++--------------
 1 file changed, 23 insertions(+), 29 deletions(-)

diff --git a/templates/qe/6.4/data.qe.arm.cpu.config b/templates/qe/6.4/data.qe.arm.cpu.config
index 9505f50c..5874a63c 100644
--- a/templates/qe/6.4/data.qe.arm.cpu.config
+++ b/templates/qe/6.4/data.qe.arm.cpu.config
@@ -7,43 +7,37 @@ qe/6.4 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.4.1.tar.gz q-e-qe-6.4.1.tar.
 [DEPENDENCY]
 set -x
 set -e
+yum install -y libatomic
 module purge
-./jarvis -install bisheng/2.1.0 com
-module use ./software/modulefiles
-module load bisheng/2.1.0
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
-./jarvis -install hmpi/1.1.1 bisheng
-module use ./software/moduledeps/bisheng2.1.0
-module load hmpi/1.1.1
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
-./jarvis -install openblas/0.3.18 bisheng
-module load openblas/0.3.18
+./jarvis -install hpckit/${HPCKIT_VERSION} any
+module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release
+module load bisheng/kml${HPCKIT_VERSION}/kml
+module load bisheng/kml${HPCKIT_VERSION}/kblas/multi
 cd tmp/
 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.4.1.tar.gz
 
 [ENV]
-source /etc/profile
 module purge
-module use ./software/modulefiles
-module load bisheng/2.1.0
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
-module use ./software/moduledeps/bisheng2.1.0
-module load hmpi/1.1.1
-module load openblas/0.3.18
-export BLAS_LIBS="-L${JARVIS_LIBS}/bisheng2.1.0/openblas/0.3.18/lib -lopenblas"
-export LAPACK_LIBS="-L${JARVIS_LIBS}/bisheng2.1.0/openblas/0.3.18/lib -lopenblas"
+module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release
+
+module load bisheng/kml${HPCKIT_VERSION}/kml
+module load bisheng/kml${HPCKIT_VERSION}/kblas/multi
+
+export KML_LIB=$JARVIS_UTILS/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng/lib
+export BLAS_PATH=$KML_LIB/${kp}/kblas/multi
+export LAPACK_PATH=$KML_LIB/${kp}
+export KM_LIB=$KML_LIB/noarch
+
+export BLAS_LIBS="-L$BLAS_PATH -lkblas"
+export LAPACK_LIBS="-L$LAPACK_PATH -L$KM_LIB -lkm -lkscalapack_full -lklapack_full"
 
 [APP]
 app_name = QE
 build_dir = ${JARVIS_ROOT}/tmp/q-e-qe-6.4.1
-binary_dir =
-case_dir =
+binary_dir = ${JARVIS_ROOT}/tmp/q-e-qe-6.4.1/bin
+case_dir = $JARVIS_ROOT/workloads/QE/qe-test
 
 [BUILD]
 ./configure --prefix=${JARVIS_ROOT}/software/apps/QE F90=flang F77=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3" CFLAGS="-O3" --with-scalapack=no --enable-openmp
@@ -54,6 +48,6 @@ make install
 make clean
 
 [RUN]
-run =
-binary =
+run = mpirun --allow-run-as-root -x OMP_NUM_THREADS=1 -np $(nproc)
+binary = pw.x -input test_3.in
 nodes = 1
-- 
Gitee