...modul
Notation of `modul´ comprises a certain number of logically associated Fortran subroutines (SR).
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...process.
If e.g. the directory `TMP/tmp1' exists already through a symbolic link, it is tested whether the target directory is still in the range of access. If not, then a new symbolic link to `$TMPDIR' is defined with the command `ln -s qmc/TMP/tmp1 $TMPDIR'. If `TMP/tmp1' does not already exist, it will be generated below `qmc'.
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....
As an alternative the job can also be started with the at command, as e.g. `at -sm -f <Jobfile> -qb now + 1 min.' In this case the lines beginning with `#QSUB' are ignored.
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...new
The name of a module belonging to a surface version is denoted by `hr*.for' or `bhr*.for'. All new moduls have in common that the I/O and parameter specifications are adapted to parallel processing and orthorhombic symmetry, respectively.
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...N1D.
Another possible solution could be the use of one or more `include' files for parameter specifications in Fortran. However, this possibility is not available on all systems because it does not belong to standard Fortran77. Therefore, for this idea it would be better to utilize a C preprocessor which is always standard. It could be evoked within the make commands, if there is no simpler use of it. . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Robert Bahnsen
1/28/2002