Keating:ProcedeLog: Difference between revisions
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! Module/Script !! Ver !! Date !! Nature of Change !! Affected scripts/modules | ! Module/Script !! Ver !! Date !! Nature of Change !! Affected scripts/modules | ||
|- | |||
| naccess | |||
| d | |||
| 08/10/05 | |||
| I changed the naccess shell script such that error and warning messages are printed to STDERR. It used to be printed to STDOUT and this was an issue since ENERGY::getAtomicSA executed naccess with "> /dev/null" meaning that STDOUT was ignored. So if there was an error, it would never be seen. Printing errors and warnings to STDERR is in general better than having to examine STDOUT after every call. | |||
| Anything calling naccess (ENERGY::getAtomicSA) | |||
|- | |- | ||
| CHARMM.pm | | CHARMM.pm | ||
| d | | d | ||
| | | 08/10/05 | ||
| Now that communication with CHARMM is interactive, every write MUST be followed by a proper title ("* something\n*\n"). Otherwise, CHARMM tries to read the title and when it does not find one, it does BACKSPACE on the input stream (really stupid, but that is how it's implemented), which works for regular files, but may fail for pipes. I looked through all occurances of writes in CHARMM.pm and made sure that a proper title follows. | | Now that communication with CHARMM is interactive, every write MUST be followed by a proper title ("* something\n*\n"). Otherwise, CHARMM tries to read the title and when it does not find one, it does BACKSPACE on the input stream (really stupid, but that is how it's implemented), which works for regular files, but may fail for pipes. I looked through all occurances of writes in CHARMM.pm and made sure that a proper title follows. | ||
| CHARMM.pm and everything depending on it. | | CHARMM.pm and everything depending on it. | ||
|} | |} | ||
Revision as of 07:15, 16 August 2005
Here the ongoing changes to version d of ProCEDe will be documented. Users are encouranged to read through this and this and ask questions and make suggestions.
| Module/Script | Ver | Date | Nature of Change | Affected scripts/modules |
|---|---|---|---|---|
| naccess | d | 08/10/05 | I changed the naccess shell script such that error and warning messages are printed to STDERR. It used to be printed to STDOUT and this was an issue since ENERGY::getAtomicSA executed naccess with "> /dev/null" meaning that STDOUT was ignored. So if there was an error, it would never be seen. Printing errors and warnings to STDERR is in general better than having to examine STDOUT after every call. | Anything calling naccess (ENERGY::getAtomicSA) |
| CHARMM.pm | d | 08/10/05 | Now that communication with CHARMM is interactive, every write MUST be followed by a proper title ("* something\n*\n"). Otherwise, CHARMM tries to read the title and when it does not find one, it does BACKSPACE on the input stream (really stupid, but that is how it's implemented), which works for regular files, but may fail for pipes. I looked through all occurances of writes in CHARMM.pm and made sure that a proper title follows. | CHARMM.pm and everything depending on it. |
