MPICH2 via Ubuntu Software Center is probably compiled with gfortran The following command in a terminal might tell you what compiler was usedto make MPICH2:
mpif90 -v Most likely you should get a source package from: http://www.mpich.org/downloads/ Then, compile it with ifort (./configure, make, and make install). FFTW3 via Ubuntu Software Centercan workfor serial, but the development package may not have the libfftw3_mpi.a package neededfor mpi. Most likely you should get and compile the source package from: http://www.fftw.org/download.html On 2/21/2013 10:20 PM, Long Zhang wrote: > > Hello, > > I am trying to install the current version 12.1 on Ubuntu 12.04 > (64-bit). I met some problem related to mpi, can someone please give > me some hint? Thanks in advance. > > The situation is like this, on a freshly installed Ubuntu 12.04 64bit, > I installed current version Intel Fortran Composer XE 2013.2.146, and > installed MPICH2 and FFTW3 via Ubuntu Software Center. > > Before run the siteconfig_lapw, I checked > which ifort > /opt/intel/composer_xe_2013.2.146/bin/intel64/ifort > which mpif90 > /usr/bin/mpif90 > > and did the following 3 lines in the terminal > source /opt/intel/composer_xe_2013.2.146/bin/compilervars.sh intel64 > export > LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64 > export MKLROOT=/opt/intel/composer_xe_2013.2.146/mkl/ > > Then I run the siteconfig_lapw, and selected system as "ifort12+mkl" > (the first one), selected compilers as "ifort" and "cc", selected > "finegrained parallel" and "mpif90", and got error message like this: > > ----------------------------------------------- cut1 > ----------------------------------------------- > Compile time errors (if any) were: > SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_hf/compile.msg:make: *** [rp] Error 2 > SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_hf/compile.msg:make: *** [cp] Error 2 > SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw0/compile.msg:make: *** [para] Error 2 > SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw1/compile.msg:make: *** [rp] Error 2 > SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw1/compile.msg:make: *** [cp] Error 2 > SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw2/compile.msg:make: *** [rp] Error 2 > SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw2/compile.msg:make: *** [cp] Error 2 > ----------------------------------------------- cut1 > ----------------------------------------------- > > I looked into SRC_lapw1/compile.msg, and the detailed error is: > > ----------------------------------------------- cut2 > ----------------------------------------------- > mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 > -traceback -DParallel -c modules_tmp_.F > -------------------------------------------------------------------------- > The Open MPI wrapper compiler was unable to find the specified compiler > gfortran in your PATH. > > Note that this compiler was either specified at configure time or in > one of several possible environment variables. > -------------------------------------------------------------------------- > make[1]: *** [modules.o] Error 1 > make[1]: Leaving directory `/home/lzhang200/wien2k/SRC_lapw1' > make: *** [rp] Error 2 > ----------------------------------------------- cut2 > ----------------------------------------------- > > It seems OpenMPI was invoked and it looked for gfortran. I don't have > gfortran installed at all, but I found I have openmpi installed. I > then used Ubuntu Software Center to search openmpi and uninstalled > related packages. I restarted the system and repeated the > siteconfig_lapw. > However I still get error message, not same but similar, it still > looks for gfortran, for examplethe SRC_lapw1/compile.msg shows: > > ----------------------------------------------- cut3 > ----------------------------------------------- > mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 > -traceback -DParallel -c modules_tmp_.F > /usr/bin/mpif90: line 370: gfortran: command not found > make[1]: *** [modules.o] Error 127 > make[1]: Leaving directory `/home/lzhang200/wien2k/SRC_lapw1' > make: *** [rp] Error 2 > ----------------------------------------------- cut3 > ----------------------------------------------- > > I did not specify to use gfortran anywhere in the setupof > siteconfig_lapw, I don't see why mpif90 keeps looking for it. How can > I fix this problem? Thanks a lot. > > Regards, > Long Zhang -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130221/ddae90b6/attachment.htm>