From 673187dd7e2375725d793fa73081b16fa688d89b Mon Sep 17 00:00:00 2001 From: cfmin <1163105507@qq.com> Date: Thu, 10 Apr 2025 20:40:27 +0800 Subject: [PATCH 1/2] Add templates app BerkeleyGW-3.0.1 --- .../berkeleygw.arm.bisheng.hpckit.config | 84 +++++++++++++++++++ 1 file changed, 84 insertions(+) create mode 100644 templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config diff --git a/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config b/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config new file mode 100644 index 0000000..3c72e1c --- /dev/null +++ b/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config @@ -0,0 +1,84 @@ +[SERVER] +11.11.11.11 + +# Go: https://berkeleygw.org/download/ +# Download: BerkeleyGW-3.0.1.tar.gz +# Manually-upload: ../hpcrunner/downloads/ +[DOWNLOAD] +BerkeleyGW/3.0.1 + +[DEPENDENCY] +module purge +./jarvis -install hpckit/2024.12.30 any +module use ./software/utils/hpckit/2024.12.30/HPCKit/latest/modulefiles +module use ./software/moduledeps +module load bisheng/compiler4.1.0/bishengmodule +module load bisheng/hmpi2.4.3/hmpi +export CC=mpicc +export CXX=mpicxx +export FC=mpifort +export F77=mpifort +export F90=mpifort +./jarvis -install fftw/3.3.8 bisheng+mpi +module load bisheng4.1.0-hmpi2.4.3/fftw/3.3.8 +module load bisheng/kml2.5.0/kml + +tar -zxvf ${JARVIS_DOWNLOAD}/BerkeleyGW-3.0.1.tar.gz -C ${JARVIS_TMP_DOWNLOAD} +mkdir -p ${JARVIS_ROOT}/software/apps/berkeleygw + +[ENV] +module purge +module use ./software/utils/hpckit/2024.12.30/HPCKit/latest/modulefiles +module use ./software/moduledeps +module load bisheng/compiler4.1.0/bishengmodule +module load bisheng/hmpi2.4.3/hmpi +module load bisheng/kml2.5.0/kml +module load bisheng4.1.0-hmpi2.4.3/fftw/3.3.8 + +[APP] +app_name = BerkeleyGW +build_dir = ${JARVIS_TMP_DOWNLOAD}/BerkeleyGW-3.0.1 +binary_dir = ${JARVIS_ROOT}/software/apps/berkeleygw/bin +case_dir = ${JARVIS_TMP_DOWNLOAD}/BerkeleyGW-3.0.1/testsuite/CUBE + +[BUILD] +touch arch.mk + +cat << EOF > arch.mk +COMPFLAG = -DGNU +PARAFLAG = -DMPI +MATHFLAG = -DUSESCALAPACK -DUSEFFTW3 +FCPP = cpp -C -nostdinc +F90free = mpif90 -ffree-form -ffree-line-length-none -Wall -pedantic-errors -fopenmp +LINK = mpif90 +FOPTS = -O3 +FNOOPTS = \$(FOPTS) +MOD_OPT = -J +INCFLAG = -I +C_PARAFLAG = -DPARA +CC_COMP = mpicxx -Wall +C_COMP = mpicc -Wall +C_LINK = mpicxx +C_OPTS = -O3 +C_DEBUGFLAG = +REMOVE = /bin/rm -f +FFTWLIB = \${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.3/fftw/3.3.8/lib/libfftw3.a +FFTWINCLUDE = \${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.3/fftw/3.3.8/include +LAPACKLIB = -L\${JARVIS_UTILS}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/neon -lklapack_full -L\${JARVIS_UTILS}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/neon/kblas/pthread -lkblas +SCALAPACKLIB = -L\${JARVIS_UTILS}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/neon -lkscalapack_full \$(LAPACKLIB) +TESTSCRIPT = make check-parallel +EOF + +make all-flavors +make install INSTDIR=${JARVIS_ROOT}/software/apps/berkeleygw + +cd ${JARVIS_TMP_DOWNLOAD}/BerkeleyGW-3.0.1/testsuite/CUBE/ +tar -zxvf homo.cube.tgz + +[CLEAN] +make clean + +[RUN] +run = time mpirun --allow-run-as-root -np $(nproc) +binary = surface.x surface.inp +nodes = 1 -- Gitee From 7fdf98b92cdd3ac1658d9020c00148feaf37d7bf Mon Sep 17 00:00:00 2001 From: cfmin <1163105507@qq.com> Date: Thu, 10 Apr 2025 21:30:42 +0800 Subject: [PATCH 2/2] Add templates app blastz-2004-12-27 --- .../blastz/2004-12-27/blastz.arm.kgcc.config | 46 +++++++++++++++++++ 1 file changed, 46 insertions(+) create mode 100644 templates/blastz/2004-12-27/blastz.arm.kgcc.config diff --git a/templates/blastz/2004-12-27/blastz.arm.kgcc.config b/templates/blastz/2004-12-27/blastz.arm.kgcc.config new file mode 100644 index 0000000..457c73e --- /dev/null +++ b/templates/blastz/2004-12-27/blastz.arm.kgcc.config @@ -0,0 +1,46 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +blastz/2004-12-27 https://www.bx.psu.edu/miller_lab/dist/blastz-2004-12-27.deprecated.tar.gz +hg38/ http://hgdownload.soe.ucsc.edu/goldenPath/hg38/chromosomes/chr4.fa.gz hg38.chr4.fa.gz +galGal3/ http://hgdownload.soe.ucsc.edu/goldenPath/galGal3/chromosomes/chr4.fa.gz galGal3.chr4.fa.gz + +[DEPENDENCY] +module purge +module use ./software/modulefiles +./jarvis -install kgcc/10.3.1 com +module load kgcc/10.3.1 + +mkdir -p ${JARVIS_ROOT}/software/apps +tar -zxvf ${JARVIS_DOWNLOAD}/blastz-2004-12-27.deprecated.tar.gz -C ${JARVIS_ROOT}/software/apps/ + +[ENV] +module purge +module use ./software/modulefiles +module load kgcc/10.3.1 + +[APP] +app_name = blastz +build_dir = ${JARVIS_ROOT}/software/apps/blastz-source +binary_dir = ${JARVIS_ROOT}/software/apps/blastz-source +case_dir = ${JARVIS_ROOT}/software/apps/blastz-source/testfile + +[BUILD] +sed -i 's/CFLAGS= -O/CFLAGS= -O3 -march=armv8.2-a -mtune=tsv110 -flto/g' Makefile +sed -i '11c //char *argv0;' args.c +CC=`which gcc` make +${JARVIS_ROOT}/software/apps/blastz-source/blastz --help + +mkdir -p testfile +cd testfile/ +cp -ar ${JARVIS_DOWNLOAD}/*.fa.gz . +gzip -d hg38.chr4.fa.gz +gzip -d galGal3.chr4.fa.gz + +[CLEAN] + +[RUN] +run = time +binary = blastz hg38.chr4.fa galGal3.chr4.fa C=3 T=2 Z=10 > hg38_c4-vs-galGal3_c4-kp7265.out +nodes = 1 -- Gitee