From 54fd9b14b5d857307c7e78acf47c201a22bb7470 Mon Sep 17 00:00:00 2001 From: berserker111 <11058055+liu-jing110@user.noreply.gitee.com> Date: Fri, 7 Feb 2025 15:15:54 +0800 Subject: [PATCH 1/3] =?UTF-8?q?=E6=96=B0=E5=A2=9Ehpckit12.30=E7=89=88?= =?UTF-8?q?=E6=9C=AC?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- package/hpckit/2024.12.30/install.sh | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 package/hpckit/2024.12.30/install.sh diff --git a/package/hpckit/2024.12.30/install.sh b/package/hpckit/2024.12.30/install.sh new file mode 100644 index 00000000..cc4a66f5 --- /dev/null +++ b/package/hpckit/2024.12.30/install.sh @@ -0,0 +1,4 @@ +#!/bin/bash +set -e +export hpckit_ver="24.0.0" +../meta.sh $1 -- Gitee From 51fc4b742751c66dc29cd0603c98c6ef5b6e712a Mon Sep 17 00:00:00 2001 From: wanghanwen <1564586847@qq.com> Date: Fri, 7 Feb 2025 09:56:55 +0000 Subject: [PATCH 2/3] =?UTF-8?q?Revert=20"=E6=96=B0=E5=A2=9Ehpckit12.30?= =?UTF-8?q?=E7=89=88=E6=9C=AC"?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit This reverts commit 54fd9b14b5d857307c7e78acf47c201a22bb7470. --- package/hpckit/2024.12.30/install.sh | 4 ---- 1 file changed, 4 deletions(-) delete mode 100644 package/hpckit/2024.12.30/install.sh diff --git a/package/hpckit/2024.12.30/install.sh b/package/hpckit/2024.12.30/install.sh deleted file mode 100644 index cc4a66f5..00000000 --- a/package/hpckit/2024.12.30/install.sh +++ /dev/null @@ -1,4 +0,0 @@ -#!/bin/bash -set -e -export hpckit_ver="24.0.0" -../meta.sh $1 -- Gitee From bd35fc2fa509d5963b7501572c57a6c17eb4caff Mon Sep 17 00:00:00 2001 From: berserker111 <604593208@qq.com> Date: Sat, 11 Oct 2025 09:26:09 +0800 Subject: [PATCH 3/3] =?UTF-8?q?=E6=9B=B4=E6=96=B0hpckit=E5=AE=89=E8=A3=85r?= =?UTF-8?q?elion=E8=84=9A=E6=9C=AC?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .../3.1.2/data.relion.arm.hpckit.cpu.config | 60 +++++++++++++++++++ 1 file changed, 60 insertions(+) create mode 100644 templates/relion/3.1.2/data.relion.arm.hpckit.cpu.config diff --git a/templates/relion/3.1.2/data.relion.arm.hpckit.cpu.config b/templates/relion/3.1.2/data.relion.arm.hpckit.cpu.config new file mode 100644 index 00000000..4b4261ee --- /dev/null +++ b/templates/relion/3.1.2/data.relion.arm.hpckit.cpu.config @@ -0,0 +1,60 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +relion/3.1.2 $JARVIS_PROXY/3dem/relion/archive/refs/tags/3.1.2.tar.gz relion-3.1.2.tar.gz + +[DEPENDENCY] +yum install -y libtiff-* fltk* fltk-devel* +module use ./software/modulefiles +module purge +./jarvis -install package/hpckit/25.1.0 any +module use ${JARVIS_ROOT}/software/module* +module add hpckit25.1.0/bisheng/compiler4.2.0.2/bishengmodule +export CC=clang CXX=clang++ FC=flang +./jarvis -install wxWidgets/3.0.5 clang +module load bisheng4.2.0.2/wxWidgets/3.0.5 +./jarvis -install ctffind/4.1.14/clang clang + +[ENV] +module purge +module use ${JARVIS_ROOT}/software/module* +module add hpckit25.1.0/bisheng/compiler4.2.0.2/bishengmodule hpckit25.1.0/bisheng/hmpi25.1.0/release +module load bisheng4.2.0.2/wxWidgets/3.0.5 bisheng4.2.0.2/ctffind-clang/4.1.14 +export CC=clang CXX=clang++ FC=flang + +export np_per_node=128 + +export install_path=$JARVIS_ROOT/software/apps/relion/3.1.2 +export bin_path=${install_path}/bin +export case_path=/nfs02/home/whw/new/hpcrunner/case/relion_benchmark +export case_name="relion_benchmark" +export PATH=${PATH}:${bin_path} + + +[APP] +app_name = relion +build_dir = ${JARVIS_ROOT} +binary_dir = +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +rm -rf relion-3.1.2 +tar -xvf ${JARVIS_DOWNLOAD}/relion-3.1.2.tar.gz +cd relion-3.1.2 +mkdir build && cd build +cmake -DCUDA=OFF -DBUILD_SHARED_LIBS=OFF -DCMAKE_BUILD_TYPE=release -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/relion/3.1.2 .. +make -j +make install + + +[RUN] +run = +binary = +nodes = 1 + +[BATCH] +cd ${case_path} +mkdir -p class3d +time -p mpirun --allow-run-as-root -N $((np_per_node/4)) numactl --localalloc --cpunodebind=0,1,2,3 relion_refine_mpi --j 4 --cpu --pool 100 --dont_combine_weights_via_disc --i Particles/shiny_2sets.star --ref emd_2660.map:mrc --firstiter_cc --ini_high 60 --ctf --ctf_corrected_ref --iter 25 --tau2_fudge 4 --particle_diameter 360 --K 6 --flatten_solvent --zero_mask --oversampling 1 --healpix_order 2 --offset_range 5 --offset_step 2 --sym C1 --norm --scale --random_seed 0 --maxsig 500 --fast_subsets --o class3d/test01 -- Gitee