From aadcc643cba3f8ac836c5f71ef6ad137bf695bfb Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E5=88=98=E5=AD=90=E5=AE=89?= <15428808+liuziankp@user.noreply.gitee.com> Date: Mon, 10 Feb 2025 07:44:47 +0000 Subject: [PATCH 1/3] test MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Signed-off-by: 刘子安 <15428808+liuziankp@user.noreply.gitee.com> --- init.sh | 1 + 1 file changed, 1 insertion(+) diff --git a/init.sh b/init.sh index 0f421a8..47eb9c5 100644 --- a/init.sh +++ b/init.sh @@ -21,6 +21,7 @@ export JARVIS_PROXY=https://gh.ddlc.top/https://github.com + export DOWNLOAD_TOOL=${CUR_PATH}/package/common/download.sh export CHECK_DEPS=${CUR_PATH}/package/common/check_deps.sh export CHECK_ROOT=${CUR_PATH}/package/common/check_root.sh -- Gitee From f19c4e57062c4f3bd8705d36461120238c2217f1 Mon Sep 17 00:00:00 2001 From: AurelianoLZA Date: Sat, 15 Feb 2025 21:26:15 +0800 Subject: [PATCH 2/3] update Signed-off-by: AurelianoLZA --- init.sh | 1 - 1 file changed, 1 deletion(-) diff --git a/init.sh b/init.sh index 47eb9c5..0f421a8 100644 --- a/init.sh +++ b/init.sh @@ -21,7 +21,6 @@ export JARVIS_PROXY=https://gh.ddlc.top/https://github.com - export DOWNLOAD_TOOL=${CUR_PATH}/package/common/download.sh export CHECK_DEPS=${CUR_PATH}/package/common/check_deps.sh export CHECK_ROOT=${CUR_PATH}/package/common/check_root.sh -- Gitee From 699453ee342acc56dfd7bcd8e29529acd4551962 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E5=88=98=E5=AD=90=E5=AE=89?= <15428808+liuziankp@user.noreply.gitee.com> Date: Fri, 28 Mar 2025 15:24:07 +0000 Subject: [PATCH 3/3] add ir2tb config file --- templates/ir2tb/data.ir2tb.arm-920.cpu.config | 76 +++++++++++++++++++ 1 file changed, 76 insertions(+) create mode 100644 templates/ir2tb/data.ir2tb.arm-920.cpu.config diff --git a/templates/ir2tb/data.ir2tb.arm-920.cpu.config b/templates/ir2tb/data.ir2tb.arm-920.cpu.config new file mode 100644 index 0000000..8c35ccb --- /dev/null +++ b/templates/ir2tb/data.ir2tb.arm-920.cpu.config @@ -0,0 +1,76 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +IRVSP-master https://github.com/zjwang11/IRVSP/archive/refs/heads/master.zip IRVSP-master.zip + +[DEPENDENCY] +module purge +./jarvis -install bisheng/4.1.0 com +module use ./software/modulefiles +module load bisheng/4.1.0 +export CC=clang CXX=clang++ FC=flang + +./jarvis -install hmpi/2.4.0 clang +module use ${JARVIS_ROOT}/software/moduledeps/ +module load bisheng4.1.0/hmpi/2.4.0 + +./jarvis -install kml/2.4.0/bisheng clang +module load bisheng4.1.0/kml-bisheng/2.4.0 + +unzip ${JARVIS_DOWNLOAD}/IRVSP-master.zip +tar -xzvf ${JARVIS_ROOT}/IRVSP-master/lib_irrep_bcs.tar.gz +tar -xzvf ${JARVIS_ROOT}/IRVSP-master/src_ir2tb_v2.tar.gz + +[ENV] +module purge +module use ./software/modulefiles +module load bisheng/4.1.0 +module use ./software/moduledeps/ +module load bisheng4.1.0/kml-bisheng/2.4.0 + +[APP] +app_name = ir2tb +build_dir = ${JARVIS_ROOT}/src_ir2tb_v2/ +binary_dir = ${JARVIS_ROOT}/src_ir2tb_v2/bin/ +case_dir = + +[BUILD] +cd ${JARVIS_ROOT}/lib_irrep_bcs +sed -i '191s/^\(\s*\).*/\1real(dp), parameter :: sqr38 = -dsqrt(0.375d0)/' lib_comms.f90 +sed -i "192a real(dp), parameter :: nsqr58 = -sqr58" lib_comms.f90 +sed -i "198,203s/-sqr38/sqr38/" lib_comms.f90 +sed -i "198,203s/-sqr58/nsqr58/" lib_comms.f90 +sed -i '195s/^\(\s*\).*/\1IF(ikt/=Numk) STOP “ERROR in little groups of k-points”/' lib_bilbao.f90 +sed -i '236s/^\(\s*\).*/\1if(IsGene(ir).eqv..true.) then/' addsign.f90 +sed -i '243s/^\(\s*\).*/\1if (ByGene(irtmp) .eqv. .true.) exit/' addsign.f90 +sed -i '692c rot_mat_tb(1+startorb_j:norb_j+startorb_j, 1+startorb_i:norb_i+startorb_i, litt_group(irot)) = &' irrep_bcs.f90 +sed -i "64s/zsqrt/sqrt/" lib_chrct.f90 +sed -i "7s/^\(\s*\).*/\1F90 = flang/" Makefile +sed -i "8s/^\(\s*\).*/\1FLAGS = -O3 -ffree-line-length-none -cpp/" Makefile +make clean +make +cd ${JARVIS_ROOT}/src_ir2tb_v2 +sed -i '2s/^\(\s*\).*/\1F90 = flang/' Makefile +sed -i '3s/^\(\s*\).*/\1FLAGS = -O3 -ffree-line-length-none -cpp/' Makefile +sed -i '11c MKLIBS = -L${KML_BISHENG}/lib -lklapack_full -L${KML_BISHENG}/lib/kblas/omp -lkblas' Makefile +sed -i '32s/^\(\s*\).*/\1flang -O3 -c $*.f90/' Makefile +cp ${JARVIS_ROOT}/lib_irrep_bcs/irrep_bcs.a . +make clean +make + +[CLEAN] +make clean +cd ${JARVIS_ROOT}/lib_irrep_bcs +make clean + +[RUN] +run = +binary = +nodes = 1 + +[PERF] +perf= +nsys= +ncu= + -- Gitee