Crystal17 1.0.2

Dependencies

  • Intel oneAPI 2022 Update 1

Installation

  1. First download the tar from the main page http://www.crystalsolutions.eu/try-it.html

    module load intel/2022_oneAPI-update1
mkdir CRYSTAL17
cd CRYSTAL17
tar -zxvf crystal17_v1_0_2_demo.tar.gz

  2. It will generate some tarball files, uncompress the Linux one

    tar -zxvf crystal17_v1_0_2_Linux-ifort17_emt64_demo.tar.gz

  3. Copy the bin directorie to the Root directorie of crystal

    sudo mkdir /share/apps/crystal17/1_0_2/Intel_oneAPI-2022_update-1
sudo cp -r bin /share/apps/crystal17/1_0_2/Intel_oneAPI-2022_update-1

Module

#%Module1.0#####################################################################
##
## modules 1.0.4_intel_impi-2017_update-1
##
## /share/apps/crystal17/1_0_2/Intel_oneAPI-2022_update-1  Written by Santiago Alzate Cardona
##

proc ModulesHelp { } {
    puts stderr "\tcrystal17/v$version - sets the Environment for crystal17 in \
    \n\tthe share directory /share/apps/crystal17/1_0_2/Intel_oneAPI-2022_update-1\n"
}

module-whatis "\n\n\tSets the environment for using crystal17 v1.0.2 builded with \
          \n\tIntel_oneAPI-2022_update-1 (ifort and mpiifort)\n"

# for Tcl script use only
set     topdir           /share/apps/crystal17/1_0_2/Intel_oneAPI-2022_update-1
set     version          1.0.4
set     sys          x86_64-redhat-linux

# Module use
set         user         [exec bash -c "echo \$USER"]
set         CRY17_ROOT   $topdir
set         CRY17_BIN    bin
set         CRY17_ARCH   Linux-ifort14_XE_emt64/std
set         VERSION      v1.0.2
set         CRY17_EXEDIR $CRY17_ROOT/$CRY17_BIN/$CRY17_ARCH


conflict crystal

module load intel

setenv      CRY17_ROOT   $topdir
setenv      CRY17_BIN    bin
setenv      CRY17_ARCH   Linux-ifort14_XE_emt64/std
setenv      VERSION      v1.0.2
setenv      CRY17_EXEDIR $CRY17_ROOT/$CRY17_BIN/$CRY17_ARCH

prepend-path PATH    $CRY17_EXEDIR

Usage mode

cd example_crystal
module load module load crystal17/1_2_0_Intel_oneAPI-2022_update-1
crystal

Author

  • Santiago Alzate Cardona