> MM> Dear linux experts > MM> > MM> I have newly set up our computer cluster with new mpich2 (1.07) > MM> and ifort. > MM> In the last cluster the binary pw.x (compiled with mpich2 1.04) could be > MM> executed directly or with mpiexec for serial or parallel use, > MM> respectively. > MM> Now, this is not possible anymore, I always have to start an smpd > MM> and run pw.x with mpiexec, even for serial usage. > MM> It is a bit uncomfortable, so if anyone knows a switch for the compiler, > MM> or could comment I would greatly appreciate it.
It was a bug in mpich2-1.0.7, with pre release 1.1... it works both ways. > > this has to be a "feature" of MPICH, or the way > you compiled it. > > i'm using OpenMPI and don't have that problem. > if you are after convenience, you should seriously > consider switching to OpenMPI. particularly on PBS/Torque > managed clusters, it is _extremely_ convenient > (job launch through torque, flexible choice of node > assignment, high efficiency, independence of the > executable from the underlying communication layer > (i can compile executable on my desktop with no network > and run them on myrinet, or infiniband machines directly)). we are using SGE, but it was a bit tricky to get parallel environments working. On the next cluster I will give it a try. Cheers Marcel > > cheers, > axel. > > > -- > ======================================================================= > 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 > =======================================================================
