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 >>>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>> >>>>>>> >>>>>> >>>>> >>>> >>> >> >
