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 0000000000000000000000000000000000000000..4b4261ee38e1d20bbdc7be787cbb9701372c68d2 --- /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