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