On Aug 30, 2012, at 8:23 , somayeh fotohi wrote: > I have two problems in quantum espresso.
no, you have one: you haven't read the user guide > davcio : 0.01s CPU 23906.83s WALL ( 88 calls) this is I/O: more than 6h are spent reading and writing files. Either your file system is very strange, or you are using a NFS-mounted file system (very bad idea). > when i use 32 cores or 16 cores, the speed does not change > considerably maybe 32 cores are already too many for your system and/or for your communication hardware P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
