[molpro-user] absolute paths in the file-directive

Andy May MayAJ1 at cardiff.ac.uk
Thu Apr 5 19:39:44 BST 2012


This is hopefully now fixed. You can get the fix by downloading the 
'nightly' build, or it will be included in the next update.

Best wishes,


On 01/12/11 09:35, Sve N wrote:
> Dear all,
> 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:
> file,2,/absolute/path/test.wfu
> 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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