[molpro-user] absolute paths in the file-directive
goretoffel at hotmail.de
Thu Dec 1 09:35:51 GMT 2011
after the, by now successful compilation and installation of molpro 2010, in principle everything seems to work.
When specifying the name for file 2, however, I seemingly cannot use absolute paths, which worked in molpro 2006. It looks like molpro just appends the absolute path to the directory specified via the -W option:
Executed with "-W /wfudir", it results in an error at the end of the calculation, which begins with the line:
Cannot open source file /wfudir//absolute/path/t
Can I somehow change this behavior? Additionally molpro creates the directory "/my_home/wfu", although I specified another directory via -W, when executing, as well as in the /molprodir/lib/molpro.rc.
Is there a list somewhere, which contains all possible options and their meaning for molpro?
http://www.molpro.net/info/current/doc/manual/node7.html tells me, there are other options, but
http://www.molpro.net/info/current/doc/instguide/node8.html just gives a reference to "bin/molpro".
Thanks again, Sven
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