Hi, print option for lapw1 was never meant to work with mpi. Why would you want to print such huge Hamiltonians in ascii.
regards Robert On 08 January 2014 PM 11:54:50 Oleg Rubel wrote: > Dear Elias, > > thank you for confirming the error. Now I know that it is not specific > to my compilation. Gavin emailed me that the problem might be related > to MKL. I wonder whether what is your version of MKL? Is it older than > 10.3? > > I will recompile lapw1 with some checkpoints and hope to gain more insight. > > Best regards > Oleg > > On Wed, Jan 8, 2014 at 4:33 AM, Elias Assmann <elias.assm...@gmail.com> wrote: > > On 01/08/2014 01:20 AM, Oleg Rubel wrote: > >> I wonder if anybody can reproduce this error? > > > > I can. I used only MPI-parallelism: > > > > $ cat .machines > > 1: localhost localhost > > > > $ x lapw1 -up -p > > w2k_dispatch_signal(): received: Segmentation fault > > > > $ cat uplapw1.error > > ** Error in Parallel LAPW1 > > ** LAPW1 STOPPED at Wed Jan 8 10:26:39 CET 2014 > > ** check ERROR FILES! > > Error in LAPW1 > > > > 'Unknow' - Process termination signal received > > > >> Wien2k v13.1; Intel Fortran v11.0.074; MKL v10.1.0.015; MVAPICH2 > > > > $ cat $WIENROOT/VERSION > > WIEN2k_13.1 (Release 17/6/2013) > > > > `cat $WIENROOT/COMPILER` -V > > Intel(R) Fortran Intel(R) 64 Compiler Professional for applications > > running > > on Intel(R) 64, Version 11.1 Build 20090630 Package ID: > > l_cprof_p_11.1.046 > > > > with Open MPI 1.4.4 > > > > > > HTH, > > > > Elias > > > > _______________________________________________ > > 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 > > _______________________________________________ > 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 -- ================================================== Dr. Robert Laskowski Senior Scientist, Materials Science & Engineering Department Institute of High Performance Computing, A*STAR 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 Tel(Off): +65. 64191493 Fax: +65. 64632536 ================================================= _______________________________________________ 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
