-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA256 On 12/21/2015 06:51 PM, venkatesh chandragiri wrote: > I have done parallel SCF calculations in a cluster (the > case.vector_* files are created in a separate scratch folder) and > later I was copied the entire folder into a local computer due to > memory issues at cluster. After some days, I was copied the entire > folder into cluster (the same case.vector_* files are also copied > into scratch folder into the cluster ). Although, the x lapw2 > -up/-dn -qtl -c -p runs smoothly without error (writing shell > script for generating .machines file), the case.qtlup/dn files does > not contain any data (0 bytes). Kindly, let me know the possible > error in the present DOS calculation.
I do not know what would cause that, but note that `x lapw2 -qtl' is not itself parallelized; `-p' means only “read parallel vector files”. This means you do not need `.machines'. On the other hand, it reads `.processes' to see how many vector files there should be, so if you deleted that, that might have caused the error. > I also tired to run the "x lapw2 -up/-dn -qtl -c -p " by keeping > all the case.vector_* files into same parent folder. This gives > also give error without running x lapw2. But, this error is > connected to location of case.vector_* files which is not seen the > earlier run. You probably need to `set SCRATCH=./' in this case. Include the error messages next time. Elias -----BEGIN PGP SIGNATURE----- Version: GnuPG v2 Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iQIcBAEBCAAGBQJWeRahAAoJEE/4gtQZfOqPKH8P/0xjS1Oh3N1VZO6AQ6Kia0a/ KiSSulv3B2+8wGpsVJHI30xl1RhSF2llZCaEBXHLGX/rHadNxyVILMVcWvfr/ba0 Sl0L3Aa1FzrLVVZJOIO62tQWPQc6MwLmE8fios4uZUb/tOxYdpzH/omzLpyDt8A3 HIMPhOm8fsIWB3o+9x/d6S48G//zs7JujLCmwwiH3BB4qcYJd3yV5Q8tNo4FVGdP wL/FvdGobLCVPU6QYI/dq4q3Uho6SGrJC0f+cgZkw+8G0AVhf2ISRzFlgbMaqJqQ iYphe7hReaxiH3UIKO1LDYIZSif1X7N18Im5V+BUrErg8GRmGwFy7a/MiwWT51Ok McFOOXl7RiyVJQglty9TuLNnIKa4lXdnMxHaGRIMSO8ppEVnlca47Sitlxy45JxJ qeGEEa9bwaK9sqRjjO22Pwn7Lqew8Ds4f/s60mBbYb0vdbvHPM+W60ybQOJRQ3o4 QUCZ58HuuNfSbgPACx2WRLE69wgGSCkU+Ll0KiEhGbkQhjS61NyyAK1kjVPv9Ywy qecv/Y7xURfibwMWpYymDajLTAgI21vsmZyZg3vfAxqKn1xg0yZW5l3uh9XHi9lI DS7F4o8m+x/XOtfqyYQBA6yNvmQHItZxZUOJ5qvQWGDbpT+ZdCJ4yh2VUkmV8Y0D XPStXYHeEj9tNeSWtddt =Aqg5 -----END PGP SIGNATURE----- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://email@example.com/index.html