AMBER Archive (2009)

Subject: [AMBER] Problem in compiling AMBER9 in parallel !

From: Pradipta Bandyopadhyay (pradipta_b_at_mail.jnu.ac.in)
Date: Tue Sep 29 2009 - 08:04:47 CDT

Dear All,

  I have been trying to compile AMBER9 in a parallel in 64 bit linux machine.

uname -a gives

Linux upoe.jnu.ac.in 2.6.18-128.1.14.el5 #1 SMP Wed Jun 17 06:38:05 EDT 2009 x86_64 x86_64 x86_64 GNU/Linux

I have followed the instructions given in the 'INSTALL' file in AMBER.

I have compiled openmpi

Then I have set the correct MPI_HOME and the updated path and LD_LIBRARY_PATH

I used

 ./configure openmpi ifort_x86_64

 make parallel

However, it can not read the openmpi include files. (ifort -c -w95 -mp1 -O0 -FR -o evb_init.o _evb_init.f
_evb_init.f(171): error #5102: Cannot open include file 'mpif-common.h')

Although the file is in $MPI_HOME/include

Has somebody faced the same problem?

thanks,

 Pradipta

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