[gmx-developers] Documentation of internal environment variables

[Christoph Junghans]

Dear all,

I was thinking of adding an overview table to the manual documenting
some internal used environment variables.
Should we do that?

find . -name "*.[ch]" -exec sed -n 's/.*getenv(\([^)]\+\)).*/\1/p' {}
+ | sort -u
gives the following list:
"ACC" "BASENAME" "CPMCSCF" "DEVEL_DIR" "DISPLAY" "DISTGCT" "DSSP" env
env_var "GALACTIC_DYNAMICS" "GAUSS_DIR" "GAUSS_EXE" "GKRWIDTH"
"GMX_ALLOW_CPT_MISMATCH" "GMX_CAPACITY" GMX_CHECK_MPI_ENV
"GMX_CONSTRAINTVIR" "GMX_CYCLE_ALL" "GMX_CYCLE_BARRIER"
"GMX_DD_ORDER_ZYX" "GMX_DISRE_ENSEMBLE_SIZE" "GMX_DUMP_NL"
"GMX_ENX_NO_FATAL" "GMXFONT" "GMX_FORCEINIT" "GMX_FORCE_TABLES"
"GMX_FORCE_UPDATE" "GMXGHAT" GMX_IGNORE_FSYNC_FAILURE_ENV "GMXLIB"
"GMX_MAXBACKUP" "GMX_MAXCONSTRWARN" "GMX_MAXRESRENUM"
"GMX_MAX_THREADS" "GMX_NB_GENERIC" "GMX_NBLISTCG" "GMX_NO_ALLVSALL"
"GMX_NO_CART_REORDER" "GMX_NOCHARGEGROUPS" "GMX_NO_FFRTP_TER_RENAME"
"GMX_NO_INT" "GMX_NO_NODECOMM" "GMX_NOOPTIMIZEDKERNELS"
"GMX_NOPREDICT" "GMX_NO_PULLVIR" "GMX_NO_QUOTES"
"GMX_NOSEHOOVER_CHAINS" "GMX_NO_SOLV_OPT" "GMX_NO_TERM" "GMX_NO_USR1"
"GMXNPRI" "GMXNPRIALL" "GMX_NSCELL_NCG" "GMX_PATH_GZIP"
"GMX_PME_NTHREADS" "GMX_PMEONEDD" "GMX_PME_THREAD_DIVISION"
"GMX_SCSIGMA_MIN" "GMX_SUPPRESS_DUMP" "GMXTIMEUNIT" "GMX_TPIC_MASSES"
"GMX_TPI_DUMP" "GMX_VIEW_XVG" "GMX_VIRIAL_TEMPERATURE" "LOG_BUFS"
"LOGO" "LONGFORMAT" "MDRUN"  "MEM" "MPIRUN" "MULTIPROT" "NCPUS"
"ORCA_PATH" "PATH" "SASTEP" "STATE" "TESTMC" "TOTAL" "VERBOSE"
"VMDDIR" "VMD_PLUGIN_PATH" "WHERE" "XMGR"

Which are the important ones?


Cheers,

Christoph



-- 
Christoph Junghans
Web: http://www.compphys.de