if you do not use a local SCRATCH directory ($SCRATCH=./ is ok) (or only run on a single shared memory machine in parallel), there is no problem. This command should copy the vectors from the scratch on the remote machines to your working-dir.
However, you should have a vec2old_lapw shell-script in $WIENROOT ??? Am 27.08.2013 23:10, schrieb Jifeng Sun:
Dear WIEN2K users, I am using WIEN2K 12.1 and doing GGA+U+SO. After the successful SCF calculation, I got "vec2old_lapw: Command not found." when I tried to calculate DOS with parallel mode (x lapw2 -p -up -so -qtl). But the calculation can still finish and I am able to plot the DOS. When I only did single mode (x lapw2 -up -so -qtl), there was no " vec2old_lapw: Command not found" but I got a new error: forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Ba3Sm2O5Cl2_test/Ba3Sm2O5Cl2_test.normsoup Image PC Routine Line Source lapw2c 0000000000530B4D Unknown Unknown Unknown lapw2c 000000000052F655 Unknown Unknown Unknown lapw2c 00000000004D4E00 Unknown Unknown Unknown lapw2c 000000000048E39A Unknown Unknown Unknown lapw2c 000000000048DB90 Unknown Unknown Unknown lapw2c 00000000004B05FB Unknown Unknown Unknown lapw2c 00000000004ADE8F Unknown Unknown Unknown lapw2c 000000000047185F outp_ 249 outp.f lapw2c 000000000045DC41 l2main_ 1993 l2main_tmp_.F lapw2c 000000000046A14C MAIN__ 564 lapw2_tmp_.F lapw2c 0000000000403CAC Unknown Unknown Unknown libc.so.6 00002B9EFF82430D Unknown Unknown Unknown lapw2c 0000000000403BA9 Unknown Unknown Unknown 53.8u 3.9s 1:01.18 94.4% 0+0k 643040+172272io 4pf+0w error: command /root/WIEN2K_12/lapw2c uplapw2.def failed Is this a big problem? and How to deal with this? Thanks! Cheers, Jifeng -- Jifeng Sun Graduate Research Assistant National High Magnetic Field Laboratory Condensed Matter Science Chemical & Biomedical Engineering FAMU-FSU College of Engineering Florida State University s...@magnet.fsu.edu _______________________________________________ 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
-- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pbl...@theochem.tuwien.ac.at ----------------------------------------- _______________________________________________ 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
