Thanks for your reply. I run my job on the cluster with the version of siesta being 3.2. Then I will try if it works with version being 3.1. The results will be showed then.
2014-12-09 5:42 GMT+08:00 Ting Zheng <[email protected]>: > which siesta version do you use? > > Thanks > > 2014-12-08 15:34 GMT-06:00 Ting Zheng <[email protected]>: > > I think you can try siesta 3.1 or 3.2 (not the latest one) instead. I >> think it works, and you can just try it. Ting >> >> 2014-12-08 9:19 GMT-06:00 Ting Zheng <[email protected]>: >> >> Hi, Did you run your job on your personal computer or cluster? Thanks >>> >>> Ting >>> >>> 2014-12-07 22:37 GMT-06:00 邵德喜 <[email protected]>: >>> >>> In my case, my jobs even can not be run smoothly on a core. I have not >>>> solved it yet. Any ideas and comments will be appreciated. >>>> >>>> 2014-12-08 5:23 GMT+08:00 Ting Zheng <[email protected]>: >>>> >>>>> Hi siesta users, >>>>> >>>>> I saw your email in the mail list. I encounter the same problem as you >>>>> described in the email. It seems that my jobs can be run smoothly on a >>>>> core >>>>> (not a note), but the jobs will be aborted after the first CG/MD step when >>>>> I used multi-cores to run the jobs. So did you solve the problem or any >>>>> idea with my problem? Thanks so much. >>>>> >>>>> Have a good day >>>>> >>>>> Ting Zheng >>>>> >>>>> >>>>> >>>>> >>>>> 2014-12-03 0:27 GMT-06:00 joyce79928cc . <[email protected]>: >>>>> >>>>> yes >>>>>> >>>>>> -- >>>>>> Best Regards >>>>>> >>>>>> 邱芳瑜 Chiu Fang Yu >>>>>> 國立成功大學 材料科學與工程學系碩二 >>>>>> MOBILE：0930287221(中華) >>>>>> GMAIL：[email protected] <[email protected]> >>>>>> >>>>>> >>>>>> >>>>>> 2014-12-03 14:18 GMT+08:00 邵德喜 <[email protected]>: >>>>>> >>>>>>> Is that completed successfully? >>>>>>> >>>>>>> 2014-12-03 11:06 GMT+08:00 joyce79928cc . <[email protected]>: >>>>>>> >>>>>>> I changed my job to 1core calculation job >>>>>>>> >>>>>>>> >>>>>>>> -- >>>>>>>> Best Regards >>>>>>>> >>>>>>>> 邱芳瑜 Chiu Fang Yu >>>>>>>> 國立成功大學 材料科學與工程學系碩二 >>>>>>>> MOBILE：0930287221(中華) >>>>>>>> GMAIL：[email protected] <[email protected]> >>>>>>>> >>>>>>>> >>>>>>>> >>>>>>>> 2014-12-03 10:31 GMT+08:00 邵德喜 <[email protected]>: >>>>>>>> >>>>>>>>> Have you ever solved the problem yet? >>>>>>>>> I've found that this problem occurs in the part of transiesta >>>>>>>>> calculation, then all of the jobs shut down at the same point from the >>>>>>>>> OUTPUT just as follows: >>>>>>>>> >>>>>>>>> TRANSIESTA: Initializing lists >>>>>>>>> From SIESTA: Efermi= -4.358 >>>>>>>>> qc0 : 0.000 >>>>>>>>> qcn0 : 250.519 >>>>>>>>> nou,NGL,NGR: 1664 208 208 >>>>>>>>> rank 20 in job 1 i02n10_59047 caused collective abort of all >>>>>>>>> ranks >>>>>>>>> exit status of rank 20: killed by signal 9 >>>>>>>>> Job >>>>>>>>> /fs00/software/lsf/9.1/linux2.6-glibc2.3-x86_64/bin/intelmpi_wrapper >>>>>>>>> /fs08/home/js_dxshao/bin/transiesta >>>>>>>>> >>>>>>>>> TID HOST_NAME COMMAND_LINE STATUS >>>>>>>>> TERMINATION_TIME >>>>>>>>> ===== ========== ================ ======================= >>>>>>>>> =================== >>>>>>>>> 00000 i02n10 /fs08/home/js_dx Exit (status unknown) >>>>>>>>> >>>>>>>>> 00001 i02n10 /fs08/home/js_dx Exit (status unknown) >>>>>>>>> >>>>>>>>> It's really so kind of all to give any advice ang guidence. >>>>>>>>> Thanks in advance! >>>>>>>>> >>>>>>>>> 2014-11-30 20:13 GMT+08:00 joyce79928cc . <[email protected]>: >>>>>>>>> >>>>>>>>> Today I got this error, too >>>>>>>>>> >>>>>>>>>> -- >>>>>>>>>> Best Regards >>>>>>>>>> >>>>>>>>>> 邱芳瑜 Chiu Fang Yu >>>>>>>>>> 國立成功大學 材料科學與工程學系碩二 >>>>>>>>>> MOBILE：0930287221(中華) >>>>>>>>>> GMAIL：[email protected] <[email protected]> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> 2014-11-30 16:52 GMT+08:00 邵德喜 <[email protected]>: >>>>>>>>>> >>>>>>>>>>> Dear all: >>>>>>>>>>> I‘m sorry to disturb but today when I take transiesta >>>>>>>>>>> calculation, error as follows occured: >>>>>>>>>>> forrtl: severe (174): SIGSEGV, segmentation fault occurred >>>>>>>>>>> Any suggestion will be appreciated. >>>>>>>>>>> Dexi Shao >>>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>> >>>>>>>> >>>>>>> >>>>>> >>>>> >>>> >>> >> >
