Thanks a lot Eyvaz for your reminder. Actually, every time before I run ./configure I load moduli "pgi52 and mpich-pgi". Best
Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote: Hi, My apologies interfering. It might be that I did not read the threat completely. The problem looks like the same I had before on a Linux cluster. It turned out that I had to load some moduli before typing "./configure". They were mpich, blas, lapack, fftw, and ifort. Sure, compiled libraries have to be compatible with a compiler you would like to use. I.e. if you like ifort compiler choose intel_mpich, but not gnu_mpich. So, try the command "module available" and choose these what you need using "module load XXXXXX". Then ./configure It worked perfectly in my case. Bests, Eyvaz. --- stargmoon wrote: > Thanks a lot Dr.Kohlmeyer, I will ask our sysadmin > and let you know if I can successfully compile the > parallel version. > > Best regards, > > Stargmoon > > Axel Kohlmeyer wrote: > On 9/18/06, stargmoon wrote: > > Dear Dr.Kohlmeyer, > > > > Thanks for your reply. > > > > I am just one user of our cluster, that is, I am > not the system > > administrator. I do not know the detail of the > installation of softwares > > so please _ask_ your sysadmin, this is the person > 'in the know' > about the details. as i wrote before, all > machines/clusters are > slightly different, so there is no way to predict > what might be a problem. > > > there. But MPICH was there, and can be launched by > "module add". And I was > > told that MPICH was installed ourselves, not > bundled with the machines. > > so then your sysadmin _has_ to know... > > > The command line I used to do "configure" is > "./configure > > MPI_LIBS="-L/opt/mpi/tcp/mpich-pgi/lib -lmpich > -lfmpich" > > > > Could you please give me more hints what I should > do to figure out this > > problem? > > as i wrote before, please try to compile and run > _another_ MPI program, > best one of the MPI tutorial examples, as they are > rather trivial. > once you get that working, let us know what command > line you needed > for the successful compile that produced a usable > executable, > we can look into getting QE compiled. > > > > > By the way, have you ever used pathscale to > compile espresso? It seems to > > be possible from the update information for > espresso3.1.1. We have pathscale > > and mpich for pathscale work for VASP on our > cluster. > > i managed to do it a long time ago (including a few > manual hacks). > but i didn't have access to a machine with pathscale > for quite a while. > with the addition of the iotk library, probably a > few more tweaks are/were > needed. i would not expect a large difference > between pathscale and PGI > on AMD64 machines. most of the speed comes from the > design of the > cpu itself and usually numerical codes like QE are > faster, if you _lower_ > the optimization (and especially avoid IPA/IPO and > heuristic vectorization). > QE already takes a lot of advantage of SIMD > instructions through the > use of optimized BLAS/LAPACK libraries (i.e. ACML on > AMD64). > > cheers, > axel. > > > > > Best, > > > > Stargmoon > > > > Axel Kohlmeyer wrote: > > On 9/17/06, stargmoon wrote: > > > Dear pwscf community, > > > > > > I tried to compile Espresso-3.1.1 recently on > our PC cluster (AMD64). > > > However, after I run ./configure, I am told that > "Parallel environment not > > > detected". I checked the config.log, since there > is no problem in seaching > > > for the MPI compilers (mpif90, mpif77 and > mpicc), I think it must be the > > MPI > > > > there are two stages of the search. a) whether the > executables exists > > and b) whether they can produce working binaries. > > > > > library problem. Therefore, I tried to set > "MPI_LIBS" (there is only > > > libmpich.a in there) in the ./configure command > line, but it did not work > > > > i would have expected a libfmpich.a, too. > > > > > either. Could anybody please tell me what kind > of MPI libraries I have to > > > point to the "configure" in order to get > parallel compilation? > > > > this is impossible to tell, without knowing any > details about your system. > > > > what parallel software are you using (it looks > like MPICH) and did you > > install it yourself or was it bundled with the > system? do mpif77 and > > mpif90 point to a sufficient fortran > > > > can you compile and run any of the (trivial) MPI > example programs > > that usually ship with MPI packages, and if yes, > please describe the > > commandline you use for that. based on that > information, we may > > be able to help you. > > > > especially on linux machines, there are almost > always a few kinks > > to be worked out in the installation. > > > > regards, > > axel. > > > > > > > > Thanks in advance! > > > > > > stargmoon > > > > > > > > > ________________________________ > > > Get your email and more, right on the new > Yahoo.com > > > > > > > > > > > > -- > > > ======================================================================= > > 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. > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > ________________________________ > > Stay in the know. Pulse on the new Yahoo.com. > Check it out. > > > > > > > -- > ======================================================================= > 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. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > === message truncated === __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! 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