[Wien] Parallel calculation with Dual Quad Core Processors

2010-01-10 Thread 马超
Dear Prof. Marks, Thanks very much for your suggestions. Now, I know how to set up the parallel calculation and edit .machines. In addition, I have another question about the performance of my machine with Dual Quad Core Processors (i. e. 8 CPUs). By checking the process, I found

[Wien] Parallel calculation with Dual Quad Core Processors

2010-01-10 Thread Gerhard Fecher
at zeus.theochem.tuwien.ac.at] im Auftrag von ?? [cma at blem.ac.cn] Gesendet: Sonntag, 10. Januar 2010 00:32 An: wien at zeus.theochem.tuwien.ac.at Betreff: Re: [Wien] Parallel calculation with Dual Quad Core Processors Dear Prof. Marks, Thanks very much for your suggestions. Now, I know how to set up the parallel

[Wien] Parallel calculation with Dual Quad Core Processors

2010-01-05 Thread 马超
Dear All, I installed Wien2k_09.2 in a workstation with Dual Quad Core Intel Xeon Processors. For parallel calculation, can the system automatically allocate the k-points to two processors, or, should I edit .machines? If so, How to edit .machines? Any suggestion is greatly

[Wien] Parallel calculation with Dual Quad Core Processors

2010-01-04 Thread Laurence Marks
You have to edit .machines -- please read the UG. 2010/1/4 ?? cma at blem.ac.cn: Dear All, I installed Wien2k_09.2 in?a workstation with Dual Quad Core Intel Xeon Processors. For parallel calculation, can the system automatically allocate the k-points to two processors, or, should I edit