diff --git a/images/wechat-group-qr.png b/images/wechat-group-qr.png index 9c351952dd6e7ecd21b2a4f8970eb966357410dd..11a5b83113150f59de05b24744b63a67b55a5449 100644 Binary files a/images/wechat-group-qr.png and b/images/wechat-group-qr.png differ diff --git a/package/hmpi/1.1.1/install.sh b/package/hmpi/1.1.1/install.sh index 235fe842fbd75482eafe4e956ffbef861747e72d..c859770ddccaf652a0de9e347f6a42d3629365a5 100644 --- a/package/hmpi/1.1.1/install.sh +++ b/package/hmpi/1.1.1/install.sh @@ -5,7 +5,7 @@ set -e . ${DOWNLOAD_TOOL} -u https://github.com/kunpengcompute/xucg/archive/refs/tags/v1.1.1-huawei.zip -f xucg-1.1.1-huawei.zip . ${DOWNLOAD_TOOL} -u https://github.com/kunpengcompute/hmpi/archive/refs/tags/v1.1.1-huawei.zip -f hmpi-1.1.1-huawei.zip cd ${JARVIS_TMP} -yum install -y perl-Data-Dumper autoconf automake libtool binutils +yum install -y perl-Data-Dumper autoconf automake libtool binutils flex rm -rf hmpi-1.1.1-huawei hucx-1.1.1-huawei xucg-1.1.1-huawei unzip ${JARVIS_DOWNLOAD}/hucx-1.1.1-huawei.zip unzip ${JARVIS_DOWNLOAD}/xucg-1.1.1-huawei.zip @@ -14,7 +14,7 @@ unzip ${JARVIS_DOWNLOAD}/hmpi-1.1.1-huawei.zip sleep 3 cd hucx-1.1.1-huawei ./autogen.sh -./contrib/configure-opt --prefix=$1/hucx CFLAGS="-DHAVE___CLEAR_CACHE=1" --disable-numa +./contrib/configure-opt --prefix=$1/hucx CFLAGS="-DHAVE___CLEAR_CACHE=1" --disable-numa --without-java for file in `find . -name Makefile`;do sed -i "s/-Werror//g" $file;done for file in `find . -name Makefile`;do sed -i "s/-implicit-function-declaration//g" $file;done make -j64 diff --git a/package/openmpi/4.1.2/IB/install.sh b/package/openmpi/4.1.2/IB/install.sh index 6b93da002460d131b4bd8651555e802edb349b31..d4868c9678ea080ccae65fd4e8eb1fe346488543 100644 --- a/package/openmpi/4.1.2/IB/install.sh +++ b/package/openmpi/4.1.2/IB/install.sh @@ -1,8 +1,9 @@ #!/bin/bash set -x set -e +. ${DOWNLOAD_TOOL} -u https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.2.tar.gz cd ${JARVIS_TMP} tar -xvf ${JARVIS_DOWNLOAD}/openmpi-4.1.2.tar.gz cd openmpi-4.1.2 -./configure CC=gcc CXX=g++ FC=gfortran --prefix=$1 --enable-pretty-print-stacktrace --enable-orterun-prefix-by-default --with-knem=/opt/knem-1.1.4.90mlnx1/ --with-hcoll=/opt/mellanox/hcoll/ --with-cma --with-ucx --enable-mpi1-compatibility +./configure CC=gcc CXX=g++ FC=gfortran --prefix=$1 --enable-pretty-print-stacktrace --enable-orterun-prefix-by-default --with-cma --with-ucx --enable-mpi1-compatibility make -j install diff --git a/package/scalapack/2.1.0/lapack-bisheng/install.sh b/package/scalapack/2.1.0/clang/install.sh similarity index 79% rename from package/scalapack/2.1.0/lapack-bisheng/install.sh rename to package/scalapack/2.1.0/clang/install.sh index b2cc85dc75a937f44342cc81302d5c87845966d4..74c11da2d51f053cd06d23d00dd54c0b03d69edb 100644 --- a/package/scalapack/2.1.0/lapack-bisheng/install.sh +++ b/package/scalapack/2.1.0/clang/install.sh @@ -6,9 +6,11 @@ cd ${JARVIS_TMP} tar -xvf ${JARVIS_DOWNLOAD}/scalapack-2.1.0.tgz cd scalapack-2.1.0 cp SLmake.inc.example SLmake.inc -LAPACK_PATH=$1 -LAPACK_PATH=${LAPACK_PATH%/*/*/*} -LAPACK_PATH=${LAPACK_PATH}/lapack-bisheng/3.8.0/lib +if ! [ -z ${LAPACK_PATH} ]; then + echo "${LAPACK_PATH} was defined" +else + echo "Need to set environment var $LAPACK_PATH" && exit 1; +fi sed -i "58s/-lblas//g" ./SLmake.inc sed -i "59s/-llapack//g" ./SLmake.inc sed -i "58s%$%${LAPACK_PATH}/librefblas.a%g" ./SLmake.inc diff --git a/src/installService.py b/src/installService.py index a2a622e95a03bc4ba5716714bbac3992959eb8d7..ab25f89eb1b95cb3f1cc11b1f5ff549599302c07 100644 --- a/src/installService.py +++ b/src/installService.py @@ -435,9 +435,9 @@ chmod +x {depend_file} module_list.append(file) for file in module_list: content = self.tool.read_file(file) - search_old_path = re.search(r'prefix +(.*hpcrunner)', content) + search_old_path = re.search(r'prefix +(.*hpcrunner(-master)?)', content) if search_old_path: content = content.replace(search_old_path.group(1), self.ROOT) self.tool.write_file(file, content) print("update successfully.") - \ No newline at end of file + diff --git a/src/perfService.py b/src/perfService.py index d4e9a8a27185d9daaf47ac5c568d2d8c847016f4..4a7c0d03d34cda5fe256634f20d5020f23aac614 100644 --- a/src/perfService.py +++ b/src/perfService.py @@ -33,7 +33,6 @@ class PerfService: pid = self.get_pid() #start perf && analysis perf_cmd = f''' -yum install -y perf perf record {DataService.perf_para} -a -g -p {pid} perf report -i ./perf.data -F period,sample,overhead,symbol,dso,comm -s overhead --percent-limit 0.1% --stdio ''' diff --git a/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config b/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config index 02cea756ccb66e370a483cf6af292829e07b16ce..bbebbcefde84c74c6d32318698520e64a949dcb7 100644 --- a/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config +++ b/templates/vasp/5.4.4/data.vasp.arm_clang.cpu.config @@ -12,6 +12,7 @@ export CC=clang CXX=clang++ FC=flang module load hmpi1/1.1.1 ./jarvis -install openblas/0.3.18 clang module load openblas/0.3.18 +export LAPACK_PATH=$JARVIS_LIBS/bisheng2/hmpi1/openblas/0.3.18/lib ./jarvis -install scalapack/2.1.0/clang clang+mpi module load scalapack-clang/2.1.0 ./jarvis -install fftw/3.3.8 clang+mpi @@ -30,7 +31,7 @@ module load fftw/3.3.8 [APP] app_name = VASP build_dir = ${JARVIS_ROOT}/tmp/vasp.5.4.4 -binary_dir = +binary_dir = ${JARVIS_ROOT}/tmp/vasp.5.4.4/bin case_dir = [BUILD] @@ -41,6 +42,6 @@ make std make veryclean [RUN] -run = mpirun -mca pml ucx -mca btl ^vader,tcp,openib,uct -np 128 -binary = vasp_std +run = mpirun --allow-run-as-root -np 32 -x OMP_NUM_THREADS=1 +binary = vasp_std 2>&1 | tee -a vasp.out nodes = 1 \ No newline at end of file diff --git a/templates/vasp/5.4.4/makefile.include b/templates/vasp/5.4.4/makefile.include index b3367173c0adaad6a13dd25c89efa182c6482abe..19a8d95c48bfec44a3118e98fb2eb423ada21655 100644 --- a/templates/vasp/5.4.4/makefile.include +++ b/templates/vasp/5.4.4/makefile.include @@ -16,8 +16,8 @@ FFLAGS = -w OFLAG = -O1 -ffp-contract=fast -ffpe-trap=invalid,zero,overflow,underflow OFLAG_IN = $(OFLAG) DEBUG = -O0 -LLIBS = -L${JARVIS_ROOT}/software/libs/bisheng2/hmpi1/scalapack-clang/2.1.0/lib -lscalapack -L${JARVIS_ROOT}/software/libs/bisheng2/openblas/0.3.18/lib -lopenblas -FFTW ?= ${JARVIS_ROOT}/software/libs/bisheng2/hmpi1/fftw/3.3.8 +LLIBS = -L${JARVIS_LIBS}/bisheng2/hmpi1/scalapack-lapack-bisheng/2.1.0/lib -lscalapack -L${JARVIS_LIBS}/software/libs/bisheng2/openblas/0.3.18/lib -lopenblas +FFTW ?= ${JARVIS_LIBS}/bisheng2/hmpi1/fftw/3.3.8 LLIBS += -L$(FFTW)/lib -lfftw3 INCS = -I$(FFTW)/include OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o @@ -38,4 +38,3 @@ LLIBS += -Lparser -lparser -lstdc++ # Normally no need to change this SRCDIR = ../../src BINDIR = ../../bin -