AMBER Archive (2006)

Subject: Re: AMBER: compile amber8 on IBM-sp4

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Tue Nov 21 2006 - 12:38:49 CST

Hi,

On Tue, 21 Nov 2006, Rachel wrote:

> Dear all,
>
> I am trying to compile amber8 on the IBM-SP4 machines, I used './configure
> -mpi xlf90_aix', after i used 'make paralle', i got the following error
> message:

> "egb.f", line 131.12: 1506-296 (S) #include file "mpif.h" not found.
> make: 1254-004 The error code from the last command is 1.

It looks like the compilation line is broken.
You didn't provide enough detail, so the full command
invoked by make is not clear.

make should be invoking something like, eg

   /lib/cpp -traditional -I/usr/lpp/ppe.poe/include -P -I/usr/local/srb/9/src/include -DMPI -DNMLEQ -DCLINK_PLAIN -Drs6000 -DPOE sander.f > _sander.f
   mpxlf90_r -bmaxdata:0x80000000 -c -qfixed -c -qfree -o sander.o _sander.f

Compare this with the output of make -n
What happens if you enter mpxlf90_r -show -help ?

> and then if i go to the $AMBERHOME/test directory and use 'make
> test.parallel', it says:

See page 7 errata
http://amber.scripps.edu/doc8/errata.html

Scott

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