mirror of https://gitlab.com/QEF/q-e.git
33 lines
1.3 KiB
Plaintext
Executable File
33 lines
1.3 KiB
Plaintext
Executable File
# environment_variables -- settings for running PWscf examples
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######## YOU MUST EDIT THIS FILE TO MATCH YOUR CONFIGURATION ########
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# BIN_DIR = path of compiled PWscf executables
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# Usually this is $TOPDIR/bin, where $TOPDIR is the root of the
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# PWscf source tree. (You must have run "make links".)
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# PSEUDO_DIR = path of pseudopotentials required by the examples
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# If you have downloaded the full PWscf distribution, they should
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# be already in $TOPDIR/pseudo; otherwise you may download them
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# from www.pwscf.org/pseudo.
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# TMP_DIR = temporary directory to be used by the examples
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# Make sure that it exists, is writable by you, and doesn't
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# contain any valuable data (everything there will be destroyed!).
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BIN_DIR=$HOME/O-sesame/bin
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PSEUDO_DIR=$HOME/O-sesame/pseudo
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TMP_DIR=$HOME/tmp
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# To run the PWscf programs on a parallel machine, you may have to add
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# the appropriate commands (poe, mpirun, mpprun...) and/or options
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# (specifying number of processors, pools...) before and after the
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# executable's name. That depends on how your machine is configured.
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# For example on an IBM SP4:
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#
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# poe pw.x -procs 4 < file.in > file.out
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# ^^^ PARA_PREFIX ^^^^^^^^ PARA_POSTFIX
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#
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# To run on a single processor, you can usually leave them empty.
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PARA_PREFIX=
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PARA_POSTFIX=
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