On Sep 21, 2012, at 19:10 , Silas Silva wrote: > After hours of execution, the system load increases absurdly. > We can see it is I/O stuff, but we could not discover why it > happens later in the execution of the program nor how to fix it.
because at the end of the execution the code, if so instructed (input variable "wf_collect"), collects big arrays that are distributed across all processors to a single processor, that in turn writes them to disk. This is needed only if you want to use those data for further processing. > 3. Is there any flag or configuration we can pass to pw.x to see > what it > is doing? Any debug flag? no. There is nothing to debug anyway: it is well known that one should not read or even worse write big files via NFS > 4. Variables you place in input file are documented anywhere? of course they are: in PW/Doc/INPUT_PW.* and in the www.quantum-espresso.org web site 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
