Dear sir, Mostly I also get the same problem, what I do, leave the struct . file and again do the initialization and then it's run well. Regards On 28 Jul 2015 21:25, "Lan, Wangwei" <wl...@my.fsu.edu> wrote:
> Dear Professor Marks: > > > I've check everything you have mentioned, they are all fine, > nevertheless it still don't work. I think the input files are ok since I > have no problem running in non-parallel mode. > > I tried to make the supercell smaller (2x1x1), then it works. However, I > don't know why that happens. > > By the way, I have "ulimit -s unlimited " in my .bashrc file. I'v also > adjusted > the RKMAX and RMT before. > > > Sincerely > > Wangwei Lan > > > > > ------------------------------ > *From:* wien-boun...@zeus.theochem.tuwien.ac.at < > wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks < > l-ma...@northwestern.edu> > *Sent:* Tuesday, July 28, 2015 13:09 > *To:* A Mailing list for WIEN2k users > *Subject:* Re: [Wien] Segmentation fault in Supercell Calculation > > You have what is called a "Segmentation Violation" which was detected by > 4 of the nodes and they called an error handler which stopped the mpi job > on all the CPU's. > > This is normally because you have an error of some sort in your input > files, any of case.in0, case.clmsum (and clmup/dn if you are using spin > polarized). > > 1) Check that you do not have overlapping spheres and/or other mistakes. > 2) Check your error files, e.g. "cat *.error". Are any others (e.g. > dstart.error) not empty? Did you ignore an error during setup? > 3) Check the lapw0 output in case.output0* -- maybe shows what is wrong. > > There are many possible sources, you have to find the specific one. > > > On Tue, Jul 28, 2015 at 12:57 PM, Lan, Wangwei <wl...@my.fsu.edu> wrote: > >> Dear WIEN2k user: >> >> >> I am using wien2k_14.2 on CentOS release 5.8. ifort version 12.1.3 with >> MKL. >> >> >> >> After generating a 2x2x1 supercell with 30 atoms, I tried to do the scf >> calculation. However, I got some errors. I'v attached it at the end of this >> email. My wien2k was installed correctly. It works well for other >> calculations. It also worked if I run non-parallel calculation for >> supercell. I'v searched the mail-list, but can't find any solutions. Could >> you give me a hint on how to solve the problem? Thank you very much. >> >> >> >> Sincerely >> >> Wangwei Lan >> >> >> >> On lapw0.error shows: >> >> >> >> 'Unknown' - SIGSEGV >> >> >> >> On super.dayfile shows: >> >> >> Child id 0 SIGSEGV >> >> Child id 8 SIGSEGV >> >> Child id 18 SIGSEGV >> >> Child id 23 SIGSEGV >> >> Child id 17 SIGSEGV >> >> >> >> On Screen shows: >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> w2k_dispatch_signal(): received: Segmentation fault >> >> -------------------------------------------------------------------------- >> >> MPI_ABORT was invoked on rank 18 in communicator MPI_COMM_WORLD >> >> with errorcode 451782144. >> >> >> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. >> >> You may or may not see output from other processes, depending on >> >> exactly when Open MPI kills them. >> >> -------------------------------------------------------------------------- >> >> -------------------------------------------------------------------------- >> >> mpirun has exited due to process rank 18 with PID 26388 on >> >> node corfu.magnet.fsu.edu exiting without calling "finalize". This may >> >> have caused other processes in the application to be >> >> terminated by signals sent by mpirun (as reported here). >> >> -------------------------------------------------------------------------- >> >> [corfu.magnet.fsu.edu:26369] 23 more processes have sent help message >> help-mpi-api.txt / mpi-abort >> >> [corfu.magnet.fsu.edu:26369] Set MCA parameter >> "orte_base_help_aggregate" to 0 to see all help / error messages >> >> >> > stop error >> >> >> >> > > > -- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu > Corrosion in 4D: MURI4D.numis.northwestern.edu > Co-Editor, Acta Cryst A > "Research is to see what everybody else has seen, and to think what nobody > else has thought" > Albert Szent-Gyorgi > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
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