From 0f3f66d161f0b971f4ca13040f8ff8db2df64a39 Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Tue, 16 Dec 2025 22:25:33 +0800
Subject: [PATCH 1/2] =?UTF-8?q?=E4=BF=AE=E5=A4=8Dtemplates/qe/6.4/data.qe.?=
 =?UTF-8?q?test.opt.config=E8=84=9A=E6=9C=AC?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 templates/qe/6.4/data.qe.test.opt.config | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/templates/qe/6.4/data.qe.test.opt.config b/templates/qe/6.4/data.qe.test.opt.config
index 4e97b3e1..22c1b374 100644
--- a/templates/qe/6.4/data.qe.test.opt.config
+++ b/templates/qe/6.4/data.qe.test.opt.config
@@ -15,8 +15,12 @@ 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
 ./jarvis -bench mpi
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
 ./jarvis -install openblas/0.3.18 bisheng
 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.4.1.tar.gz
 
@@ -28,6 +32,7 @@ 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"
@@ -48,6 +53,6 @@ make install
 make clean
 
 [RUN]
-run = mpirun --allow-run-as-root -x OMP_NUM_THREADS=1 -np 128
+run = mpirun --allow-run-as-root -x OMP_NUM_THREADS=1 -np $(nproc)
 binary = pw.x -input test_3.in
 nodes = 1
-- 
Gitee


From e43ee62c7e934643ddaa0a0e86b2776e029b63ea Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Fri, 19 Dec 2025 09:22:35 +0000
Subject: [PATCH 2/2] update templates/qe/6.4/data.qe.test.opt.config.

Signed-off-by: Zerry <996002763@qq.com>
---
 templates/qe/6.4/data.qe.test.opt.config | 43 ++++++++++--------------
 1 file changed, 18 insertions(+), 25 deletions(-)

diff --git a/templates/qe/6.4/data.qe.test.opt.config b/templates/qe/6.4/data.qe.test.opt.config
index 22c1b374..daa427d2 100644
--- a/templates/qe/6.4/data.qe.test.opt.config
+++ b/templates/qe/6.4/data.qe.test.opt.config
@@ -7,36 +7,29 @@ qe/6.4 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.4.1.tar.gz q-e-qe-6.4.1.tar.
 [DEPENDENCY]
 set -x
 set -e
-./jarvis -install bisheng/2.1.0 com
+yum install -y libatomic
 module purge
-module use ./software/modulefiles
-module load bisheng/2.1.0
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
-./jarvis -install hmpi/1.1.1 bisheng
-module use ./software/moduledeps/bisheng2.1.0
-module load hmpi/1.1.1
+./jarvis -install hpckit/${HPCKIT_VERSION} any
+module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles
+module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release
 ./jarvis -bench mpi
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
-./jarvis -install openblas/0.3.18 bisheng
 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
@@ -55,4 +48,4 @@ make clean
 [RUN]
 run = mpirun --allow-run-as-root -x OMP_NUM_THREADS=1 -np $(nproc)
 binary = pw.x -input test_3.in
-nodes = 1
+nodes = 1
\ No newline at end of file
-- 
Gitee