diff --git a/package/boost/1.72.0/install.sh b/package/boost/1.72.0/install.sh
index ef7f6266da54c3ee0b93d351904aaabad161fdd3..0010c871bf21335a3b37db470d348e4000563d5c 100755
--- a/package/boost/1.72.0/install.sh
+++ b/package/boost/1.72.0/install.sh
@@ -1,7 +1,8 @@
 #!/bin/bash
 set -x
 set -e
-. ${DOWNLOAD_TOOL} -u https://archives.boost.io/release/1.72.0/source/boost_1_72_0.tar.gz
+. ${DOWNLOAD_TOOL} -u https://sourceforge.net/projects/boost/files/boost/1.72.0/boost_1_72_0.tar.gz
+#. ${DOWNLOAD_TOOL} -u https://archives.boost.io/release/1.72.0/source/boost_1_72_0.tar.gz
 #https://boostorg.jfrog.io/artifactory/main/release/1.72.0/source/boost_1_72_0.tar.gz
 cd ${JARVIS_TMP}
 rm -rf boost_1_72_0
diff --git a/package/kml/2.2.0/gcc/install.sh b/package/kml/2.2.0/gcc/install.sh
index 8e702d5217d34df58b0564ae774a4bf2ff93c448..924ca1d8518161104f2feab9ddf92efcd6d1bd51 100644
--- a/package/kml/2.2.0/gcc/install.sh
+++ b/package/kml/2.2.0/gcc/install.sh
@@ -9,6 +9,9 @@ kml_version=2.2.0
 cd ${JARVIS_TMP}
 rm -rf boostkit-kml-${kml_version}-1.aarch64.rpm
 unzip -o ${JARVIS_DOWNLOAD}/BoostKit-kml_${kml_version}.zip
+rpm2cpio boostkit-kml-2.2.0-1.aarch64.rpm | cpio -idmv
+rm -rf /usr/local/kml
+cp -r ./usr/local/kml /usr/local/
 rpm --force --nodeps -ivh --relocate /usr/local/kml=$1 --badreloc=$1  boostkit-kml-${kml_version}-1.aarch64.rpm
 
 # generate full lapack
diff --git a/package/lapack/3.10.1/bisheng/install.sh b/package/lapack/3.10.1/bisheng/install.sh
index b6577f95385999c057252ddea8504665f94c0796..5e5b2b88f3b0759141055c2e9103e96d41343492 100755
--- a/package/lapack/3.10.1/bisheng/install.sh
+++ b/package/lapack/3.10.1/bisheng/install.sh
@@ -1,7 +1,7 @@
 #!/bin/bash
 set -x
 set -e
-. $DOWNLOAD_TOOL -u $JARVIS_PROXY/Reference-LAPACK/lapack/archive/refs/tags/v3.10.1.tar.gz 
+. $DOWNLOAD_TOOL -u $JARVIS_PROXY/Reference-LAPACK/lapack/archive/refs/tags/v3.10.1.tar.gz -f lapack-3.10.1.tar.gz 
 cd ${JARVIS_TMP}
 tar -xvf ${JARVIS_DOWNLOAD}/lapack-3.10.1.tar.gz
 cd lapack-3.10.1
@@ -24,4 +24,4 @@ ln -s $1/lib64 $1/lib
 
 cd ..
 sed -i "s|\$(TOPSRCDIR)|$1/lib64|g" make.inc
-make -j $(nproc) blaslib
\ No newline at end of file
+make -j $(nproc) blaslib
diff --git a/package/libxc/5.1.4/install.sh b/package/libxc/5.1.4/install.sh
index 0b67b558410386e1ab38a72b5213e780d071d958..ca43e2963b6c8f4f7de81205a57e0b14c61482de 100755
--- a/package/libxc/5.1.4/install.sh
+++ b/package/libxc/5.1.4/install.sh
@@ -2,7 +2,7 @@
 set -x
 set -e
 cd ${JARVIS_TMP}
-. ${DOWNLOAD_TOOL} -u http://www.tddft.org/programs/libxc/down.php?file=5.1.4/libxc-5.1.4.tar.gz -f libxc-5.1.4.tar.gz
+. ${DOWNLOAD_TOOL} -u https://www.cp2k.org/static/downloads/libxc-5.1.4.tar.gz -f libxc-5.1.4.tar.gz
 rm -rf libxc-5.1.4
 tar -xvf ${JARVIS_DOWNLOAD}/libxc-5.1.4.tar.gz
 cd libxc-5.1.4
diff --git a/package/scalapack/2.1.0/install.sh b/package/scalapack/2.1.0/install.sh
index 0438bd459704e08254520bb27e225322ac4ab364..d1ca9985b9d5e2251259a2e29f4a4d3dfe26ee48 100755
--- a/package/scalapack/2.1.0/install.sh
+++ b/package/scalapack/2.1.0/install.sh
@@ -9,8 +9,8 @@ cd scalapack-2.1.0
 cp SLmake.inc.example SLmake.inc
 
 LAPACK_PATH=${LAPACK_PATH}
-sed -i "58s%-lblas%${LAPACK_PATH}/librefblas.a%g" ./SLmake.inc
-sed -i "59s%-llapack%${LAPACK_PATH}/liblapack.a%g" ./SLmake.inc
+sed -i "58s%-lblas%${LAPACK_PATH}/lib64/libblas.so.3.8.0%g" ./SLmake.inc
+sed -i "59s%-llapack%${LAPACK_PATH}/lib64/liblapack.so.3.8.0%g" ./SLmake.inc
 make 
 mkdir $1/lib
 cp *.a $1/lib
diff --git a/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config b/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config
index c949b62dc3fdf4dc442bc2a3b8889ec5ff0ac4ce..00360d05aa6dfc77298f0d2078104d938c022ad1 100644
--- a/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config
+++ b/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config
@@ -10,52 +10,62 @@ set -x
 set -e
 module purge
 module use ./software/modulefiles
-./jarvis -install bisheng/4.1.0 com
-
-module load bisheng/4.1.0
+./jarvis -install bisheng/2.1.0 com
+module load bisheng/2.1.0
 export CC=clang CXX=clang++ FC=flang
-
-./jarvis -install hmpi/2.4.2 clang
-./jarvis -install kml/2.4.0/bisheng clang
-./jarvis -install lapack/3.10.1/bisheng clang
-./jarvis -install scalapack/2.1.0/clang clang
+./jarvis -install hmpi/1.1.1 clang
 ./jarvis -install gmp/6.2.0 clang
 ./jarvis -install boost/1.72.0/clang clang
+export CC=clang CXX=clang++ FC=flang
+./jarvis -install openblas/0.3.18 bisheng
+yum install -y cmake
 ./jarvis -install spglib/1.16.0 clang
 ./jarvis -install libxc/4.3.4 clang
 ./jarvis -install gsl/2.6 clang
 ./jarvis -install libvori/21.04.12 clang
+./jarvis -install lapack/3.8.0/bisheng clang
 
-module load kml-bisheng/2.4.0
+module load openblas/0.3.18
 module load gsl/2.6
-module load hmpi/2.4.2
+module load hmpi/1.1.1
 module load gmp/6.2.0
 module load boost-clang/1.72.0
+module load lapack-bisheng/3.8.0
+module load spglib/1.16.0
+module load libxc/4.3.4
+module load libvori/21.04.12 
 
 export CC=mpicc CXX=mpicxx FC=mpifort
+export boost_path=$BOOST_CLANG_PATH
 ./jarvis -install libint/2.6.0 clang+mpi
 ./jarvis -install fftw/3.3.8 clang+mpi
+./jarvis -install scalapack/2.1.0/clang bisheng+mpi
 ./jarvis -install plumed/2.6.2 clang+mpi
+module load scalapack-clang/2.1.0 openblas/0.3.18
 ./jarvis -install elpa/2019.05.001 clang+mpi
+module load elpa/2019.05.001
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 libxc/4.3.4 spglib/1.16.0
 
+rm -rf cp2k-7.1.0
 tar -zxvf $JARVIS_DOWNLOAD/cp2k-7.1.tar.gz
 tar -zxvf $JARVIS_DOWNLOAD/dbcsr-2.0.1.tar.gz -C ${JARVIS_ROOT}/cp2k-7.1.0/exts/dbcsr --strip-components=1
 
 [ENV]
 module purge
-module use ./software
-module load modulefiles/bisheng/4.1.0
-module load hmpi/2.4.2
-module load kml-bisheng/2.4.0
-module load lapack-bisheng/3.10.1
-module load scalapack-clang/2.1.0
+module use ./software/modulefiles
+module load bisheng/2.1.0
+export CC=clang CXX=clang++ FC=flang
+module load openblas/0.3.18
 module load gsl/2.6
-module load spglib/1.16.0
-module load moduledeps/bisheng4.1.0-hmpi2.4.2/plumed/2.6.2
-module load moduledeps/bisheng4.1.0-hmpi2.4.2/elpa/2019.05.001
-module load moduledeps/bisheng4.1.0-hmpi2.4.2/libint/2.6.0
-module load moduledeps/bisheng4.1.0-hmpi2.4.2/fftw/3.3.8
-export LD_LIBRARY_PATH=${KML_BISHENG_PATH}/lib/kblas/omp:$LD_LIBRARY_PATH
+module load hmpi/1.1.1
+module load gmp/6.2.0
+module load boost-clang/1.72.0
+module load lapack-bisheng/3.8.0
+export CC=mpicc CXX=mpicxx FC=mpifort
+export boost_path=$BOOST_CLANG_PATH
+module load scalapack-clang/2.1.0 openblas/0.3.18
+module load elpa/2019.05.001
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 libvori/21.04.12 libxc/4.3.4 spglib/1.16.0
 
 [APP]
 app_name = CP2K
@@ -65,15 +75,18 @@ case_dir = ${JARVIS_ROOT}/cp2k-7.1.0/benchmarks/QS/
 
 [BUILD]
 cd ./arch
-cp ${JARVIS_ROOT}/templates/CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp ./
-sed -i "8s%path1%${JARVIS_ROOT}/software/libs/bisheng4.1.0/hmpi2.4.2%g" Linux-arm-clang-opt.psmp
-sed -i "9s%path2%${JARVIS_ROOT}/software/libs/bisheng4.1.0%g" Linux-arm-clang-opt.psmp
+cp ${JARVIS_ROOT}/templates/CP2K/7.1/bisheng/Linux-arm-clang.psmp ./
+sed -i "10s%path1%${JARVIS_ROOT}/software/libs/bisheng2.1.0/hmpi1.1.1%g" Linux-arm-clang.psmp
+sed -i "11s%path2%${JARVIS_ROOT}/software/libs/bisheng2.1.0/%g" Linux-arm-clang.psmp
+sed -i '60s|$(MPI_PATH).*|$(MPI_PATH)/scalapack-clang/2.1.0/lib/libscalapack.a|' Linux-arm-clang.psmp
 cd ..
  
-make -j 128 ARCH=Linux-arm-clang-opt VERSION=psmp
+make -j 16 ARCH=Linux-arm-clang VERSION=psmp || true
+
 
 [CLEAN]
-make -j 128 ARCH=Linux-arm-clang-opt VERSION=psmp clean
+make -j 16 ARCH=Linux-arm-clang VERSION=psmp clean
+
 
 [RUN]
 run = numactl -C 0-63  mpirun --allow-run-as-root -np 64 -x OMP_NUM_THREADS=1
diff --git a/templates/CP2K/7.1/bisheng/data.CP2K.arm.cpu.config b/templates/CP2K/7.1/bisheng/data.CP2K.arm.cpu.config
index 6bcbc7023cde9da0a3d2f55ab16339c36d91993f..0a9e4165d787d36bfdfb8ea708f5029dbc2a863e 100644
--- a/templates/CP2K/7.1/bisheng/data.CP2K.arm.cpu.config
+++ b/templates/CP2K/7.1/bisheng/data.CP2K.arm.cpu.config
@@ -11,15 +11,14 @@ set -e
 module purge
 module use ./software/modulefiles
 ./jarvis -install bisheng/2.1.0 com
-
 module load bisheng/2.1.0
 export CC=clang CXX=clang++ FC=flang
-
 ./jarvis -install hmpi/1.1.1 clang
-
 ./jarvis -install gmp/6.2.0 clang
-./jarvis -install boost/1.72.0 clang
-./jarvis -install openblas/0.3.18 clang
+./jarvis -install boost/1.72.0/clang clang
+export CC=clang CXX=clang++ FC=flang
+./jarvis -install openblas/0.3.18 bisheng
+yum install -y cmake
 ./jarvis -install spglib/1.16.0 clang
 ./jarvis -install libxc/4.3.4 clang
 ./jarvis -install gsl/2.6 clang
@@ -30,17 +29,18 @@ module load openblas/0.3.18
 module load gsl/2.6
 module load hmpi/1.1.1
 module load gmp/6.2.0
-module load boost/1.72.0 
+module load boost-clang/1.72.0
 module load lapack-bisheng/3.8.0
 
 export CC=mpicc CXX=mpicxx FC=mpifort
+export boost_path=$BOOST_CLANG_PATH
 ./jarvis -install libint/2.6.0 clang+mpi
 ./jarvis -install fftw/3.3.8 clang+mpi
-#./jarvis -install scalapack/2.1.0/lapack-bisheng clang+mpi
 ./jarvis -install scalapack/2.1.0/clang bisheng+mpi
 ./jarvis -install plumed/2.6.2 clang+mpi
 module load scalapack-clang/2.1.0 openblas/0.3.18
 ./jarvis -install elpa/2019.05.001 clang+mpi
+module load elpa/2019.05.001
 
 tar -zxvf $JARVIS_DOWNLOAD/cp2k-7.1.tar.gz
 tar -zxvf $JARVIS_DOWNLOAD/dbcsr-2.0.1.tar.gz -C ${JARVIS_ROOT}/cp2k-7.1.0/exts/dbcsr --strip-components=1
@@ -49,8 +49,18 @@ tar -zxvf $JARVIS_DOWNLOAD/dbcsr-2.0.1.tar.gz -C ${JARVIS_ROOT}/cp2k-7.1.0/exts/
 module purge
 module use ./software/modulefiles
 module load bisheng/2.1.0
-module load hmpi/1.1.1
+export CC=clang CXX=clang++ FC=flang
+module load openblas/0.3.18
 module load gsl/2.6
+module load hmpi/1.1.1
+module load gmp/6.2.0
+module load boost-clang/1.72.0
+module load lapack-bisheng/3.8.0
+export CC=mpicc CXX=mpicxx FC=mpifort
+export boost_path=$BOOST_CLANG_PATH
+module load scalapack-clang/2.1.0 openblas/0.3.18
+module load elpa/2019.05.001
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 libvori/21.04.12 libxc/4.3.4 spglib/1.16.0
 
 [APP]
 app_name = CP2K
@@ -67,14 +77,15 @@ cd ./arch
 cp ${JARVIS_ROOT}/templates/CP2K/7.1/bisheng/Linux-arm-clang.psmp ./
 sed -i "10s%path1%${JARVIS_ROOT}/software/libs/bisheng2.1.0/hmpi1.1.1%g" Linux-arm-clang.psmp
 sed -i "11s%path2%${JARVIS_ROOT}/software/libs/bisheng2.1.0/%g" Linux-arm-clang.psmp
+sed -i '60s|$(MPI_PATH).*|$(MPI_PATH)/scalapack-clang/2.1.0/lib/libscalapack.a|' Linux-arm-clang.psmp
 cd ..
  
-make -j 128 ARCH=Linux-arm-clang VERSION=psmp
+make -j 16 ARCH=Linux-arm-clang VERSION=psmp || true
 
 [CLEAN]
-make -j 128 ARCH=Linux-arm-clang VERSION=psmp clean
+make -j 16 ARCH=Linux-arm-clang VERSION=psmp clean
 
 [RUN]
 run = numactl -C 0-63  mpirun --allow-run-as-root -np 64 -x OMP_NUM_THREADS=1
 binary = cp2k.psmp H2O-256.inp
-nodes = 1
\ No newline at end of file
+nodes = 1
diff --git a/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config b/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config
index 7a8a07bf698fb36da0c19d2e78d88de49e822836..5177457c1aa9248412cf225cd24fab6d0913d88d 100644
--- a/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config
+++ b/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config
@@ -2,43 +2,42 @@
 11.11.11.11
 
 [DOWNLOAD]
-cp2k/8.2 https://521github.com/extdomains/github.com/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2.tar.bz2 
+cp2k/8.2 https://github.com/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2.tar.bz2
 
 [DEPENDENCY]
 module purge
 module use ./software/modulefiles
-./jarvis -install bisheng/3.2.0-mini com
-module load bisheng/3.2.0-mini
+./jarvis -install bisheng/3.2.0 com
+module load bisheng/3.2.0
 export CC=clang CXX=clang++ FC=flang
 ./jarvis -install cmake/3.23.1 any
 module load cmake/3.23.1
 ./jarvis -install hmpi/2.3.0 clang
 ./jarvis -install gmp/6.2.0 clang
-./jarvis -install boost/1.72.0 clang
+#./jarvis -install boost/1.72.0 clang
+./jarvis -install boost/1.72.0/clang clang
+module load boost-clang/1.72.0
 ./jarvis -install openblas/0.3.18 clang
 ./jarvis -install spglib/1.16.0 clang
 ./jarvis -install libxc/5.1.4 clang
 ./jarvis -install gsl/2.6 clang
 ./jarvis -install libvori/21.04.12 clang
-./jarvis -install lapack/3.8.0/bisheng clang
-
 module use ./software/moduledeps/bisheng3.2.0
-module load openblas/0.3.18
-module load gsl/2.6
-module load hmpi/2.3.0
-module load gmp/6.2.0
-module load boost/1.72.0 
+module load gmp/6.2.0 gsl/2.6 hmpi/2.3.0 libvori/21.04.12
+module load libxc/5.1.4 openblas/0.3.18 spglib/1.16.0
+./jarvis -install lapack/3.8.0/bisheng clang
 module load lapack-bisheng/3.8.0
 
 module use ./software/moduledeps/bisheng3.2.0-hmpi2.3.0
-
 export CC=mpicc CXX=mpicxx FC=mpifort
+export boost_path=$BOOST_CLANG_PATH
 ./jarvis -install libint/2.6.0 clang+mpi
 ./jarvis -install fftw/3.3.8 clang+mpi
-./jarvis -install scalapack/2.1.0/clang clang+mpi
+./jarvis -install scalapack/2.1.0/clang bisheng+mpi
 ./jarvis -install plumed/2.6.2 clang+mpi
-module load scalapack-clang/2.1.0 openblas/0.3.18
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 scalapack-clang/2.1.0
 ./jarvis -install elpa/2020.11.001 clang+mpi
+module load elpa/2020.11.001
 
 rm -rf cp2k-8.2
 tar -jxvf $JARVIS_DOWNLOAD/cp2k-8.2.tar.bz2
@@ -46,12 +45,18 @@ tar -jxvf $JARVIS_DOWNLOAD/cp2k-8.2.tar.bz2
 [ENV]
 module purge
 module use ./software/modulefiles
-module use ./software/moduledeps/bisheng3.2.0
+module load bisheng/3.2.0
+export CC=clang CXX=clang++ FC=flang
+module load cmake/3.23.1
+module load boost-clang/1.72.0
+module load gmp/6.2.0 gsl/2.6 hmpi/2.3.0 libvori/21.04.12
+module load libxc/5.1.4 openblas/0.3.18 spglib/1.16.0
+module load lapack-bisheng/3.8.0
 module use ./software/moduledeps/bisheng3.2.0-hmpi2.3.0
-module load bisheng/3.2.0-mini
-module load boost/1.72.0  gmp/6.2.0  gsl/2.6  hmpi/2.3.0  lapack-bisheng/3.8.0  libvori/21.04.12  libxc/5.1.4  openblas/0.3.18  spglib/1.16.0
 export CC=mpicc CXX=mpicxx FC=mpifort
-module load elpa/2020.11.001  fftw/3.3.8  libint/2.6.0  plumed/2.6.2  scalapack-clang/2.1.0
+export boost_path=$BOOST_CLANG_PATH
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 scalapack-clang/2.1.0
+module load elpa/2020.11.001
 export PATH=${JARVIS_ROOT}/cp2k-8.2/exe/Linux-arm-clang-sve:$PATH
 
 [APP]
@@ -69,7 +74,7 @@ cd ..
 make -j ARCH=Linux-arm-clang-sve VERSION=psmp
 
 [CLEAN]
-make -j 128 ARCH=Linux-arm-clang-sve VERSION=psmp clean
+make -j ARCH=Linux-arm-clang-sve VERSION=psmp clean
 
 [RUN]
 run = numactl -C 0-63  mpirun --allow-run-as-root -np 64 -map-by ppr:64:node:pe=1 -bind-to core -x OMP_NUM_THREADS=1 
diff --git a/templates/CP2K/8.2/data.CP2K.arm.cpu.config b/templates/CP2K/8.2/data.CP2K.arm.cpu.config
index 20266bf0f3c94303c28dc51cd9444627e5b577ae..efe34781c15b5abbca4c0dccb2c0a92264be78e0 100644
--- a/templates/CP2K/8.2/data.CP2K.arm.cpu.config
+++ b/templates/CP2K/8.2/data.CP2K.arm.cpu.config
@@ -2,43 +2,42 @@
 11.11.11.11
 
 [DOWNLOAD]
-cp2k/8.2 https://github.com/extdomains/github.com/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2.tar.bz2 
+cp2k/8.2 https://github.com/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2.tar.bz2
 
 [DEPENDENCY]
 module purge
 module use ./software/modulefiles
-./jarvis -install bisheng/3.2.0-mini com
-module load bisheng/3.2.0-mini
+./jarvis -install bisheng/3.2.0 com
+module load bisheng/3.2.0
 export CC=clang CXX=clang++ FC=flang
 ./jarvis -install cmake/3.23.1 any
 module load cmake/3.23.1
 ./jarvis -install hmpi/2.3.0 clang
 ./jarvis -install gmp/6.2.0 clang
-./jarvis -install boost/1.72.0 clang
+#./jarvis -install boost/1.72.0 clang
+./jarvis -install boost/1.72.0/clang clang
+module load boost-clang/1.72.0
 ./jarvis -install openblas/0.3.18 clang
 ./jarvis -install spglib/1.16.0 clang
 ./jarvis -install libxc/5.1.4 clang
 ./jarvis -install gsl/2.6 clang
 ./jarvis -install libvori/21.04.12 clang
-./jarvis -install lapack/3.8.0/bisheng clang
-
 module use ./software/moduledeps/bisheng3.2.0
-module load openblas/0.3.18
-module load gsl/2.6
-module load hmpi/2.3.0
-module load gmp/6.2.0
-module load boost/1.72.0 
+module load gmp/6.2.0 gsl/2.6 hmpi/2.3.0 libvori/21.04.12
+module load libxc/5.1.4 openblas/0.3.18 spglib/1.16.0
+./jarvis -install lapack/3.8.0/bisheng clang
 module load lapack-bisheng/3.8.0
 
 module use ./software/moduledeps/bisheng3.2.0-hmpi2.3.0
-
 export CC=mpicc CXX=mpicxx FC=mpifort
+export boost_path=$BOOST_CLANG_PATH
 ./jarvis -install libint/2.6.0 clang+mpi
 ./jarvis -install fftw/3.3.8 clang+mpi
-./jarvis -install scalapack/2.1.0/clang clang+mpi
+./jarvis -install scalapack/2.1.0/clang bisheng+mpi
 ./jarvis -install plumed/2.6.2 clang+mpi
-module load scalapack-clang/2.1.0 openblas/0.3.18
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 scalapack-clang/2.1.0
 ./jarvis -install elpa/2020.11.001 clang+mpi
+module load elpa/2020.11.001
 
 rm -rf cp2k-8.2
 tar -jxvf $JARVIS_DOWNLOAD/cp2k-8.2.tar.bz2
@@ -46,12 +45,18 @@ tar -jxvf $JARVIS_DOWNLOAD/cp2k-8.2.tar.bz2
 [ENV]
 module purge
 module use ./software/modulefiles
-module use ./software/moduledeps/bisheng3.2.0
+module load bisheng/3.2.0
+export CC=clang CXX=clang++ FC=flang
+module load cmake/3.23.1
+module load boost-clang/1.72.0
+module load gmp/6.2.0 gsl/2.6 hmpi/2.3.0 libvori/21.04.12
+module load libxc/5.1.4 openblas/0.3.18 spglib/1.16.0
+module load lapack-bisheng/3.8.0
 module use ./software/moduledeps/bisheng3.2.0-hmpi2.3.0
-module load bisheng/3.2.0-mini
-module load boost/1.72.0  gmp/6.2.0  gsl/2.6  hmpi/2.3.0  lapack-bisheng/3.8.0  libvori/21.04.12  libxc/5.1.4  openblas/0.3.18  spglib/1.16.0
 export CC=mpicc CXX=mpicxx FC=mpifort
-module load elpa/2020.11.001  fftw/3.3.8  libint/2.6.0  plumed/2.6.2  scalapack-clang/2.1.0
+export boost_path=$BOOST_CLANG_PATH
+module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 scalapack-clang/2.1.0
+module load elpa/2020.11.001
 export PATH=${JARVIS_ROOT}/cp2k-8.2/exe/Linux-arm-clang:$PATH
 
 [APP]
@@ -69,7 +74,7 @@ cd ..
 make -j ARCH=Linux-arm-clang VERSION=psmp
 
 [CLEAN]
-make -j 128 ARCH=Linux-arm-clang VERSION=psmp clean
+make -j ARCH=Linux-arm-clang VERSION=psmp clean
 
 [RUN]
 run = numactl -C 0-63  mpirun --allow-run-as-root -np 64 -map-by ppr:64:node:pe=1 -bind-to core -x OMP_NUM_THREADS=1 
diff --git a/templates/CP2K/8.2/data.CP2K.arm.gpu.config b/templates/CP2K/8.2/data.CP2K.arm.gpu.config
index d1cc5bc07f5677ac8530e776e59bf171a61350b5..98a730bcb5b7173c4e1eb1635e5df547a20d89c3 100644
--- a/templates/CP2K/8.2/data.CP2K.arm.gpu.config
+++ b/templates/CP2K/8.2/data.CP2K.arm.gpu.config
@@ -3,10 +3,12 @@
 
 [DOWNLOAD]
 cp2k/8.2 $JARVIS_PROXY/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2.tar.bz2
+cuda/11.4.0 https://developer.download.nvidia.com/compute/cuda/11.4.0/local_installers/cuda_11.4.0_470.42.01_linux_sbsa.run
 
 [DEPENDENCY]
 set -e
 set -x
+yum install python3-devel cmake -y
 ./jarvis -install kgcc/9.3.1 com
 module purge
 module use ./software/modulefiles
@@ -15,33 +17,76 @@ export CC=`which gcc`
 export CXX=`which g++`
 export FC=`which gfortran`
 ./jarvis -install openmpi/4.1.2 gcc
+module use ./software/moduledeps/kgcc9.3.1
 module load openmpi/4.1.2
 ./jarvis -install gmp/6.2.0 gcc
 module load gmp/6.2.0
 ./jarvis -install boost/1.72.0 gcc
 module load boost/1.72.0
 ./jarvis -install libint/2.6.0 gcc+mpi
+module use ./software/moduledeps/kgcc9.3.1-openmpi4.1.2
+module load libint/2.6.0
 ./jarvis -install fftw/3.3.8 gcc+mpi
-./jarvis -install kml/1.4.0/gcc gcc
+module load fftw/3.3.8
+./jarvis -install kml/2.2.0/gcc gcc
+module load kml-gcc/2.2.0
 ./jarvis -install openblas/0.3.18 gcc
-./jarvis -install scalapack/2.1.0/kml gcc+mpi
+module load openblas/0.3.18
+./jarvis -install lapack/3.8.0 gcc
+module load lapack/3.8.0
+./jarvis -install scalapack/2.1.0 gcc
+module load scalapack/2.1.0
 ./jarvis -install spglib/1.16.0 gcc
+module load spglib/1.16.0
 ./jarvis -install libxc/5.1.4 gcc
+module load libxc/5.1.4
 ./jarvis -install gsl/2.6 gcc
 module load gsl/2.6
-module load openblas/0.3.18
 ./jarvis -install plumed/2.6.2 gcc+mpi
+module load plumed/2.6.2
 ./jarvis -install libvori/21.04.12 gcc
+module load libvori/21.04.12
+# 1. 添加执行权限
+sudo chmod +x ${JARVIS_DOWNLOAD}/cuda_11.4.0_470.42.01_linux_sbsa.run
+# 2. 静默安装
+sudo sh ${JARVIS_DOWNLOAD}/cuda_11.4.0_470.42.01_linux_sbsa.run \
+  --silent \
+  --toolkit \
+  --override \
+  --no-opengl-libs \
+  --no-man-page \
+  --no-drm \
+  --installpath=/usr/local/cuda \
+  --toolkitpath=/usr/local/cuda \
+  --samplespath=/usr/local/cuda/samples
 #release CP2K
-tar -jxvf downloads/cp2k-8.2.tar.bz2
+rm -rf cp2k-8.2
+tar -jxvf ${JARVIS_DOWNLOAD}/cp2k-8.2.tar.bz2
 
 [ENV]
 module purge
 module use ./software/modulefiles
 module load kgcc/9.3.1
+export CC=`which gcc`
+export CXX=`which g++`
+export FC=`which gfortran`
+module use ./software/moduledeps/kgcc9.3.1
 module load openmpi/4.1.2
-module load scalapack-kml/2.1.0
+module load gmp/6.2.0
+module load boost/1.72.0
+module use ./software/moduledeps/kgcc9.3.1-openmpi4.1.2
+module load libint/2.6.0
+module load fftw/3.3.8
+module load kml-gcc/2.2.0
+module load openblas/0.3.18
+module load lapack/3.8.0
+module load scalapack/2.1.0
+module load spglib/1.16.0
+module load libxc/5.1.4
 module load gsl/2.6
+module load openblas/0.3.18
+module load plumed/2.6.2
+module load libvori/21.04.12
 export CUDA_INCLUDE_DIRS=/usr/local/cuda/include
 export CUDA_CUDART_LIBRARY=/usr/local/cuda/lib64/libcudart.so
 export CUDA_HOME=/usr/local/cuda
@@ -69,8 +114,8 @@ FC          = mpif90
 LD          = mpif90
 AR          = ar -r
 
-MPI_PATH        = ${JARVIS_ROOT}/software/libs/kgcc9.3.1/openmpi4
-GNU_PATH        = ${JARVIS_ROOT}/software/libs/kgcc9
+MPI_PATH        = ${JARVIS_ROOT}/software/libs/kgcc9.3.1/openmpi4.1.2
+GNU_PATH        = ${JARVIS_ROOT}/software/libs/kgcc9.3.1
 
 include       $(MPI_PATH)/plumed/2.6.2/lib/plumed/src/lib/Plumed.inc.static
 
@@ -110,14 +155,14 @@ LIBS       += $(LIBINT_LIB)/libint2.a
 LIBS       += $(SPGLIB_LIB)/libsymspg.a
 LIBS       += $(FFTW_LIB)/libfftw3.a
 LIBS       += $(FFTW_LIB)/libfftw3_threads.a
-LIBS       += -L$(MPI_PATH)/scalapack-kml/2.1.0/lib -lscalapack
-LIBS       += -L/usr/local/kml/lib/kblas/omp -lkblas
-LIBS       += -L/usr/local/kml/lib -lklapack_full
+LIBS       += -L$(GNU_PATH)/scalapack/2.1.0/lib -lscalapack
+LIBS       += -L$(GNU_PATH)/kml-gcc/2.2.0/lib/kblas/omp -lkblas
+LIBS       += -L$(GNU_PATH)/kml-gcc/2.2.0/lib -lklapack_full
 LIBS       += -ldl -lpthread -lstdc++
-LIBS       += -L/usr/local/cuda/lib64 -lnvToolsExt -lnvrtc -lcudart -lcublas -lcufft -lnvrtc -lcuda
+LIBS       += -L/usr/local/cuda/lib64/stubs -lnvToolsExt -lnvrtc -lcudart -lcublas -lcufft -lnvrtc -lcuda
 EOF
 
-make -j 128 ARCH=arm-cuda VERSION=psmp
+make -j 16 ARCH=arm-cuda VERSION=psmp
 ldd exe/arm-cuda/cp2k.psmp
 
 [CLEAN]