>From a brief Google search this is an mpi error. How did you compile, it is easy to use wrong blacs combinations.
Have you run simpler cases such as TiC first? --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://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 On Jul 10, 2015 03:05, "Imran Khan" <imrankhanswat...@gmail.com> wrote: > Dear wien2k experts and users, > I am using wien2k version 14.2 on a queuing system (SGE), with intel > compiler 11.1, MPI libraries mpi/openmpi-1.6.3 and math libraries > fftw-3.3.4. With these options I install Wien2K without any compile time > error. > The purpose of my calculation is to find the stable site for different > substituents in NdFeB intermetallics. > I am running the case.struct given in the attachment, using 200 (6 6 4) > k-points. My RKmax value is 7 and Gmax is 12, and I am using LDA+U method. > I am using the following command runsp_lapw -p -orb -i 80 -ec 0.0001 -cc > 0.001 > Every time I submit my job after few scf cycles the job is terminated with > the following error in the error tag file. > > error: commlib error: got select error (Connection reset by peer) > error: executing task of job 2424636 failed: failed sending task to > execd@tachyon1478: can't find connection > . > . > . > LAPW2 END > LAPW2 END > LAPW2 END > LAPW2 END > real 0m53.638s > forrtl: No such file or directory > forrtl: severe (29): file not found, unit 21, file > /home01/x1030imr/khan/Wien2K/Neomagnet/Pr-doped/f-site/AFM/Pr-Af/Pr-Af.scf2up_31 > Image PC Routine Line Source > sumpara 00000000004A671D Unknown Unknown Unknown > sumpara 00000000004A5225 Unknown Unknown Unknown > sumpara 0000000000456259 Unknown Unknown Unknown > sumpara 0000000000416A5A Unknown Unknown Unknown > sumpara 0000000000416250 Unknown Unknown Unknown > sumpara 0000000000421E3D Unknown Unknown Unknown > sumpara 0000000000410771 scfsum_ 126 > scfsum.f > sumpara 000000000040EE82 MAIN__ 219 > sumpara.f > sumpara 00000000004033DC Unknown Unknown Unknown > libc.so.6 00000035AA81D974 Unknown Unknown Unknown > sumpara 00000000004032E9 Unknown Unknown Unknown > cp: cannot stat `.in.tmp': No such file or directory > > I have discussed this error with the engineers of that queuing system > (tachyon), and I have searched the mailing list as well but could not find > any solutions. > your guidance to solve this issue will be greatly appreciated. > Best regards > Imran. >
_______________________________________________ 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