[Pw_forum] Two binaries for serial and parallel use needed

[Axel Kohlmeyer]

On Mon, 29 Sep 2008, Marcel Mohr wrote:

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.

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)).

cheers,
   axel.


MM> 
MM> Cheers
MM> Marcel
MM> _______________________________________________
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MM> Pw_forum at pwscf.org
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MM> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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