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

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


Sven,

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,

Andy

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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