[Pw_forum] Problem installing espresso-5.1

[Ari P Seitsonen]

Dear Rajdeep Banerjee,

   Are you sure that you use a consistent version of OpenMPI in the 
compilation? I have previously managed a compilation with gfortran-OpenMPI 
and MKL, I do not remember that it would have been very difficult. If 
nothing else works, you might want to email more information, namely 
output like 'mpif90 -show' and the created "make.sys" file.

     Greetings,

        apsi

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   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Ecole Normale Supérieure (ENS), Département de Chimie, Paris
   Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Sat, 17 Jan 2015, Rajdeep Banerjee wrote:

> Dear all,
>              I am facing error while installing espresso-5.1. Following are the steps I followed:
> 
> ./configure --enable-parallel
> make all
> 
> Following are the last lines of the error message:
> 
> /opt/intel/composer_xe_2013.0.079/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_MPI_F77_to_c_trans_comm.o): In function
> `BI_MPI_F77_to_c_trans_comm':
> ../../../../scalapack/BLACS/SRC/MPI/INTERNAL/BI_MPI_F77_to_c_trans_comm.c:(.text+0x6): undefined reference to `MPI_Comm_f2c'
> collect2: error: ld returned 1 exit status
> make[2]: *** [pw.x] Error 1
> make[2]: Leaving directory `/home/rajdeep/soft/espresso-5.1/PW/src'
> make[1]: *** [pw] Error 1
> make[1]: Leaving directory `/home/rajdeep/soft/espresso-5.1/PW'
> make: *** [pw] Error 1
> 
>  (I have a 64-bit machine and a gfortran compiler)
> 
>             I can provide more information if you want. Please help.
> 
> Thanks and regards,
> Rajdeep Banerjee
> PhD student
> JNCASR
> Bangalore, India           
> 
>