From 8e784d94cdc4a0127000ef06c2bf3bd503076996 Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Fri, 19 Dec 2025 08:47:56 +0000
Subject: [PATCH 1/2] update templates/qe/6.4/data.qe.container.opt.config.

Signed-off-by: Zerry <996002763@qq.com>
---
 templates/qe/6.4/data.qe.container.opt.config | 28 ++++++++++---------
 1 file changed, 15 insertions(+), 13 deletions(-)

diff --git a/templates/qe/6.4/data.qe.container.opt.config b/templates/qe/6.4/data.qe.container.opt.config
index 78bd4c58..618740d0 100644
--- a/templates/qe/6.4/data.qe.container.opt.config
+++ b/templates/qe/6.4/data.qe.container.opt.config
@@ -10,12 +10,10 @@ set -e
 module purge
 ./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${HMPI_VERSION}/release
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release
+module load bisheng/kml${HPCKIT_VERSION}/kml
+module load bisheng/kml${HPCKIT_VERSION}/kblas/multi
 ./jarvis -bench mpi
-./jarvis -install openblas/0.3.18 bisheng
 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.4.1.tar.gz
 
 [ENV]
@@ -23,14 +21,18 @@ source /etc/profile
 module purge
 ./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${HMPI_VERSION}/release
-export CC=`which clang`
-export CXX=`which clang++`
-export FC=`which flang`
-module use software/moduledeps/bisheng${BISHENG_VERSION}
-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 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
-- 
Gitee


From a9ae8c561514661ce9ef3ab6a999b9de7bfed791 Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Fri, 19 Dec 2025 09:15:47 +0000
Subject: [PATCH 2/2] update templates/qe/6.4/data.qe.container.opt.config.

Signed-off-by: Zerry <996002763@qq.com>
---
 templates/qe/6.4/data.qe.container.opt.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/templates/qe/6.4/data.qe.container.opt.config b/templates/qe/6.4/data.qe.container.opt.config
index 618740d0..9ee0909e 100644
--- a/templates/qe/6.4/data.qe.container.opt.config
+++ b/templates/qe/6.4/data.qe.container.opt.config
@@ -7,6 +7,7 @@ qe/6.4 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.4.1.tar.gz q-e-qe-6.4.1.tar.
 [DEPENDENCY]
 set -x
 set -e
+yum install -y libatomic
 module purge
 ./jarvis -install hpckit/${HPCKIT_VERSION} any
 module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles
-- 
Gitee