Hi Sylvian, This sounds more like an MPI/compilation problem to me than an inputfile issue. Are you sure that the cluster is set up right (I don't know if you maintain it), and that Q-E is compiled correctly?
Lex Kemper Department of Physics University of Florida Sylvian Cadars wrote: > Hi, > I recently installed quantum espresso on a cluster machine equipped with > openmpi and the OAR job submission system. Using the standard syntax: > mpirun -np [n.o.cpus] /path/to/pw.x < inputfile.in > outputfile.out > I found that the job would only use processors within a single node, > such that there are several pw.x processes running on each CPU if the > number of specified CPUs is larger than the number of CPUs per node, > while other remain unused. > > This problem is partially solved using the "-in/input" syntax: > mpirun -np [n.o.cpus] /path/to/pw.x -in inputfile.in > outputfile.out > (as in > http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines#Trouble_with_input_files) > > That is: the job actually uses the number of requested CPUs, including > when the number of requested CPUs is greater than the number of CPUs per > node. However, a problem remains with the redirection of the output. > Instead of writing the output in "ouputfile.out " pw.x writes it in the > OAR output (OAR.jobID.stdout). > > In summary, the question is: how can I chose my output file when using > the -in/input option ? > > Thanks for your help. > Best regards. > > Sylvian >
