TURBOMOLE Users Forum

TURBOMOLE Modules => Jobex: Structure Optimization and Molecular Dynamics => Topic started by: Jerry on May 06, 2015, 01:44:53 PM

Title: Running PES scan in parallel with scanprep
Post by: Jerry on May 06, 2015, 01:44:53 PM

Hi,
Is it possible to run a PES scan in parallel (SMP or MPI) when using the scanprep script?

Thank you,
Jerry

Title: Re: Running PES scan in parallel with scanprep
Post by: christof.haettig on September 30, 2015, 03:13:31 PM

should work. if it doesn't send a message to the help desk.