Author Topic: TURBOMOLE 5.8 on Intel QuadCore  (Read 5406 times)


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TURBOMOLE 5.8 on Intel QuadCore
« on: April 01, 2008, 02:23:35 PM »

I've some trouble to get the parallel version of TURBOMOLE 5.8 working on a Intel QuadCore server. If I start a parallel jobex (DFT) run on four processors, it shuts down in the relax step because nothing is written in the gradient file. The "master" file contains five times the notice "p4_error: Could not gethostbyname for host Quad12; may be invalid name: 61" - maybe thats the reason for that. I've added "Quad12" in "/etc/hosts" and a "ping Quad12" works fine. I use openMPI (Version 1.2.5) on Ubuntu Linux. Has anybody an idea ?