On Thu, 22 Nov 2007, hyello25 Qgrui wrote: GQ> Hi every pwscf user, GQ> GQ> When I tried to compile pwscf-3.2.3 with openmpi-1.2.4, the error GQ> "ld: cannot find -lmpi_f90" came out. I had tried many way to solve it GQ> but failed to find the answer in openmpi forum.Can anyone give me some GQ> advices about it.
that means, that either you messed up the OpenMPI installation or are not using the right mpif90 wrapper as linker. since you don't provide any information about either, there is little we can do for you. can you compiler/run a simple "hello world" mpi program with openmpi? GQ> My system is emt64 architecture, ifort 10, mkl 9 and icc 10 GQ> compiler, RedHat 4.3 os. GQ> I have succeeded to compiler the pwscf code using mpich2. But the GQ> network data exchange is too large so that the efficiency is low when GQ> parallel calculation performed. switching to OpenMPI is not going to change that! i assume you are using gigabit ethernet interconnect. but (again) since you don't provide any specifics of the network, job type and system size, or how you run pwscf, there is little room for giving any advice. do you parallelize over k-points (using -npools)? cheers, axel. GQ> GQ> GQ> Bests. GQ> GQ> G.R. Qian GQ> _______________________________________________ GQ> Pw_forum mailing list GQ> Pw_forum at pwscf.org GQ> http://www.democritos.it/mailman/listinfo/pw_forum GQ> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
