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
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / [email protected] / 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
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