Re: Molcas run is stopped without any error

[ Molcas user's WWWBoard ]

Posted by Victor on June 11, 2014 at 10:05:16:

In Reply to: Molcas run is stopped without any error posted by Tejas on June 10, 2014 at 13:12:24:

Hi Tejas,

if seward doesn't print much in output, it doesn't necessarily mean that something is wrong. It is very likely that everything is fine with your run/job. Otherwise, you will get an error termination and you will see an error in output.
When you start your job, I suggest to monitor the $WorkDir scratch directory. If it is not possible, then I suggest to specify MOLCAS_PRINT=VERBOSE and then you will have a bit more informative and a bit more frequently updated log file. Alternatively, you can provide us your input and we can check it on our side.

With best regards,

Follow Ups:

Post a Followup



if B is 1s22s22p1, what is Li?



[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]