Main input switches

With the ADF output TAPE21 present in the current working directory, the CPL code is invoked by:

$ADFBIN/cpl < input_file

where input_file contains the input for CPL. We have tried to ensure some backward compatibility with older ADF versions, such as ADF 1999 and ADF 2.3. Normally, you will use the ADF suite that contains the CPL code of the same version. CPL tries to detect if the TAPE21 belongs to an older version of ADF and exits with an error message in case it is not able to process this file. For ADF 2.3, you have to supply also the TAPE10 of ADF 2.3 in addition to TAPE21 (specify SAVEFILE TAPE10 in the ADF input file). We provide this option for testing purposes, however this functionality is not supported and we do not recommend to run CPL on top of the output of an older ADF version.

input_file must contain at least one block-type input key in order to start the CPL run. The input key is

NMRCOUPLING
END

This represents a minimal input file for CPL. The NMRCOUPLING key hosts all optional keys that are relevant for the NSSCCs themselves. In addition to the mandatory NMRCOUPLING key, CPL recognizes the following input switches:

MAXMEMORYUSAGE nmem

maximum amount nmem of memory in Mbyte that the program is allowed to use

RESTART restart_file

restart the computation from file restart_file. This is the TAPE13 produced during a CPL run. By default, TAPE13 is deleted after a successful completion of CPL. As with ADF restarts, you can not use the name TAPE13 for restart_file but you have to rename it, e.g. to tape13.restart.)

SAVEFILE TAPE13

keep the restart file even after a successful completion of CPL. TAPE13 is currently the only file that is meaningful as a parameter to SAVEFILE

 

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