[Pw_forum] Does QE support the old MPICH and gfortran?
Dear QE developer and users: I borrowed a cluster from other department. During configure the QE package, both of v4.3.2 and v4.1.3, it showed "Parallel environment not detected". Then I checked ./install/config.log ( in QE v4.3.2 ), and found the error message like: configure:2884: mpif90 -V >&5 f95: '-V' must come at the start of the command line configure:2887: $? = 1 configure:2895: checking whether we are using the GNU Fortran compiler configure:2914: mpif90 -c -g -O2 conftest.F >&5 configure:2920: $? = 0 configure:2937: result: yes configure:2943: checking whether mpif90 accepts -g configure:2960: mpif90 -c -g conftest.f90 >&5 configure:2966: $? = 0 configure:2982: result: yes configure:3353: WARNING: parallel compiler mpif90 uses gfortran, but serial compiler mpif90 was detected configure:3355: WARNING: assuming F90=gfortran, discarding mpif90 The cluster is running on Fedora release 8. mpi version is mpif90 for 1.2.7 (release) of : 2005/11/04 11:54:51, which was compiled by gfortran ( gcc version 4.1.2 20070925 (Red Hat 4.1.2-33) ). Each node is based on Intel dual-core CPU. The parallel environment can be detected by Abinit ( unfortunately, Abinit cannot pass the mpi compiling as well, even I tried Abinit v5.3.5, which was released in 2007 ). Do I have to use an older version ( ealier than 4.1.3 ) QE? Or, are there some other methods to overcome this problem? Since this cluster does not belong to our lab, we cannot update the mpi version and install ifort. -- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111215/edaca07c/attachment.htm
[Pw_forum] Does QE support the old MPICH and gfortran?
On Dec 15, 2011, at 2:51 , GAO Zhe wrote: > During configure the QE package, both of v4.3.2 and v4.1.3, > it showed "Parallel environment not detected" > [...] > configure:3353: WARNING: parallel compiler mpif90 uses gfortran, > but serial compiler mpif90 was detected > configure:3355: WARNING: assuming F90=gfortran, discarding mpif90 this is an unrelated error that has no consequences. There should be another error that causes "configure" not to recognize the parallel environment. Anyway: if mpif90 uses gfortran, it will not compile properly QE unless it is a recent version. It doesn't seem to be your case. If you cannot modify the software on the machine, the only thing you may try is to install on a private directory a working compiler (e.g. intel) and a mpi wrapper for it. Not sure it will work, though, in your case. P. --- Paolo Giannozzi, Dept of Chemistry, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
