[Pw_forum] About calculating Hubbard U of Zinc in ZnO

Shujun Hu hushujun at mail.sdu.edu.cn
Mon Apr 11 17:17:48 CEST 2005


Dear Drs,
There are some difficulties for me to run the configure with MPICH version-1.2.6.
After installing the MPI, system cannt find mpif90 with following message during
configure process:

checking for mpif90... no

Although configuration is successful and i can compile the whole package, parallel
environment is not attached during the configuration, as such information appeared
at the end:
 
----------------------------------------------
Parallel environment not detected
this program will run in single-processor mode
----------------------------------------------

So I set up the path using such command:

export PATH=/home/neshque/mpich2/bin:$PATH

Then system found the mpif90, but the configuration failed.

......
[root at localhost espresso]#  ./configure LIBDIRS="/opt/intel/mkl721/lib/32"
--enable-shared
checking build system type... i686-pc-linux-gnu
checking architecture... linux32
checking for mpif90... mpif90
checking for Fortran 77 compiler default output file name... configure: error:
Fortran 77 compiler cannot create executables
See `config.log' for more details.

I am sure there is an error for the path setting. But I donnt where and how to do.
Please guide me for a solution.
    Best wishes

                              Shujun Hu








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