#%Module1.0
conflict eman2
module load mpi
set RELION /apps/relion-3.1
prepend-path PATH $RELION/bin
setenv RELION_QSUB_COMMAND qsub
setenv RELION_MPIRUN mpirun
setenv RELION_QSUB_TEMPLATE $RELION/bin/qsub.sh
setenv RELION_QUEUE_NAME s3
setenv RELION_QUEUE_USE false
setenv RELION_QSUB_NRTHREADS 4
setenv RELION_THREAD_MAX 16
setenv RELION_QSUB_NRMPI 4
setenv RELION_MPI_MAX 32
setenv RELION_ERROR_LOCAL_MPI 32 #ローカルで32mpiより多く指定して計算するとエラー掲示
setenv RELION_SHELL csh # ctffindを外部コールに使用するSHELL
setenv RELION_EXTERNAL_RECONSTRUCT_EXECUTABLE relion_external_reconstruct
setenv RELION_CTFFIND_EXECUTABLE /apps/ctffind-4.1.13/bin/ctffind
setenv RELION_MOTIONCOR2_EXECUTABLE /apps/MotionCor2/MotionCor2_1.3.0-Cuda101
setenv RELION_GCTF_EXECUTABLE /apps/Gctf/Gctf-v1.06_sm_30_cu8.0_x86_64
setenv RELION_RESMAP_EXECUTABLE /apps/ResMap/ResMap-1.1.4-linux64
setenv RELION_PDFVIEWER_EXECUTABLE evince
setenv RELION_SCRATCH_DIR \$TMPDIR # scratchの場所. pbsproのTMPDIRを使うなら
setenv RELION_EXTERNAL_RECONSTRUCT_EXECUTABLE /apps/SIDESPLITTER/sidesplitter_wrapper.sh
setenv SIDESPLITTER /apps/SIDESPLITTER/sidesplitter