Dear all, I suddenly got the answer why the job can run with 8 cores but not 16 cores. The optical part calculation is very memory consuming. It can not work due to lack of memory.
With best regards. Guangping 2014-03-29 发件人："zgp121"<[email protected]> 发送时间：2014-03-29 00:57 主题：[SIESTA-L] Error of parallel in the optical calculation 收件人："[email protected]"<[email protected]> 抄送： Dear siesta users, I find there is one problem on the parallel calcuation of optical properties. When I use 16 cores, the calcuation stops when arriving the optical part. But it can run normally when I use 8 cores for the same job. So, I wonder what is the parallel based on during the optical calculation part. I have looked into the code, but I can not get this information. With best regards. Guangping 2014-03-29
