From 076cd37a73a9f7d9ac4e685f33ad1c77b65df0c2 Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Tue, 16 Dec 2025 22:28:21 +0800
Subject: [PATCH 1/2] =?UTF-8?q?=E4=BF=AE=E5=A4=8Dtemplates/qe/6.5/data.qe.?=
 =?UTF-8?q?arm.cpu.config=E8=84=9A=E6=9C=AC?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 templates/qe/6.5/data.qe.arm.cpu.config | 26 +++++++++++++++++++------
 1 file changed, 20 insertions(+), 6 deletions(-)

diff --git a/templates/qe/6.5/data.qe.arm.cpu.config b/templates/qe/6.5/data.qe.arm.cpu.config
index 0c45ec6f..4e2e8acd 100644
--- a/templates/qe/6.5/data.qe.arm.cpu.config
+++ b/templates/qe/6.5/data.qe.arm.cpu.config
@@ -7,22 +7,35 @@ qe/6.5 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.5.tar.gz q-e-qe-6.5.tar.gz
 [DEPENDENCY]
 ./jarvis -install bisheng/2.1.0 com
 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
+rm -rf $JARVIS_ROOT/q-e-qe-6.5/
 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.5.tar.gz
 
 [ENV]
-./jarvis -install bisheng/2.1.0 com
 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"
 [APP]
 app_name = QE
 build_dir = $JARVIS_ROOT/q-e-qe-6.5/
@@ -30,14 +43,15 @@ binary_dir = $JARVIS_ROOT/q-e-qe-6.5/bin/
 case_dir = $JARVIS_ROOT/workloads/QE/qe-test/
 
 [BUILD]
-./configure F90=gfortran F77=gfortran MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3" CFLAGS="-O3" --with-scalapack=no --enable-openmp
-make -j 96 pwall
+./configure F90=flang F77=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3" CFLAGS="-O3" --with-scalapack=no --enable-openmp
+sed -i 's/gfortran/flang/g' make.inc
+make -j pwall
 make install
 
 [CLEAN]
 make clean
 
 [RUN]
-run = mpirun --allow-run-as-root -mca btl ^vader,tcp,openib,uct -np 128
+run = mpirun --allow-run-as-root -mca btl ^vader,tcp,openib,uct -np $(nproc)
 binary = pw.x -nk 8 -input scf.in
-nodes = 1
\ No newline at end of file
+nodes = 1
-- 
Gitee


From ec7bbe555ee5dbd1b83047ec6b19e4c918952b81 Mon Sep 17 00:00:00 2001
From: Zerry <996002763@qq.com>
Date: Thu, 18 Dec 2025 13:01:05 +0000
Subject: [PATCH 2/2] update templates/qe/6.5/data.qe.arm.cpu.config.

Signed-off-by: Zerry <996002763@qq.com>
---
 templates/qe/6.5/data.qe.arm.cpu.config | 41 ++++++++-----------------
 1 file changed, 13 insertions(+), 28 deletions(-)

diff --git a/templates/qe/6.5/data.qe.arm.cpu.config b/templates/qe/6.5/data.qe.arm.cpu.config
index 4e2e8acd..2b2bb72d 100644
--- a/templates/qe/6.5/data.qe.arm.cpu.config
+++ b/templates/qe/6.5/data.qe.arm.cpu.config
@@ -5,37 +5,23 @@
 qe/6.5 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.5.tar.gz q-e-qe-6.5.tar.gz
 
 [DEPENDENCY]
-./jarvis -install bisheng/2.1.0 com
+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
+./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`
-./jarvis -install openblas/0.3.18 bisheng
-module load openblas/0.3.18
-rm -rf $JARVIS_ROOT/q-e-qe-6.5/
+rm -rf q-e-qe-6.5
 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.5.tar.gz
 
 [ENV]
 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 add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release
+
 [APP]
 app_name = QE
 build_dir = $JARVIS_ROOT/q-e-qe-6.5/
@@ -43,9 +29,8 @@ binary_dir = $JARVIS_ROOT/q-e-qe-6.5/bin/
 case_dir = $JARVIS_ROOT/workloads/QE/qe-test/
 
 [BUILD]
-./configure F90=flang F77=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3" CFLAGS="-O3" --with-scalapack=no --enable-openmp
-sed -i 's/gfortran/flang/g' make.inc
-make -j pwall
+./configure F90=gfortran F77=gfortran MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3" CFLAGS="-O3" --with-scalapack=no --enable-openmp
+make -j $(nproc) pwall
 make install
 
 [CLEAN]
@@ -53,5 +38,5 @@ make clean
 
 [RUN]
 run = mpirun --allow-run-as-root -mca btl ^vader,tcp,openib,uct -np $(nproc)
-binary = pw.x -nk 8 -input scf.in
-nodes = 1
+binary = pw.x -nk $(nproc) -input scf.in
+nodes = 1
\ No newline at end of file
-- 
Gitee