>i do not think libmpi_f90.a is related to an OpenMPI library.
Thing is that, libmpi_f90.a is part of 1.6.5 and siesta use that. However, 1.8.8 has no such file. Instead it has some other names and you said before that mpifort (the wrapper) will automatically use the necessary libraries. Please see below: # ls /export/apps/computer/openmpi-1.6.5/lib/libmpi_f90.* /export/apps/computer/openmpi-1.6.5/lib/libmpi_f90.a /export/apps/computer/openmpi-1.6.5/lib/libmpi_f90.la /export/apps/computer/openmpi-1.6.5/lib/libmpi_f90.so /export/apps/computer/openmpi-1.6.5/lib/libmpi_f90.so.1 /export/apps/computer/openmpi-1.6.5/lib/libmpi_f90.so.1.3.0 The Makefile of Siesta that use mpi interface is available at http://pastebin.com/RQx3KpXp Regards, Mahmood
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