[molpro-user] Problems with molpro2009 installation on Power6 AIX 6.1

Andrew Emerson a.emerson at cineca.it
Fri Mar 26 09:55:43 GMT 2010

Dear all

Has anyone successfully installed molpro 2009.1 on an IBM Power6 cluster 
  (AIX 6.1) ?

I have sucessfully installed global arrays 4.2 (mpi only, 
MSG_COMMS=MPI) and configured molpro with

  ./configure  -mpp -mppbase $GA_HOME -blas0 -batch

I then do

  gmake CC=mpcc CFLAGS="-qcpluscmt" FC=mpxlf

but after a while the compilation stops:

compiling dderf.c
compiling expiry_warn.c
compiling fcmlc.c
"fcmlc.c", line 7.10: 1506-296 (S) #include file <machines.h> not found.
"fcmlc.c", line 26.57: 1506-046 (S) Syntax error.
"fcmlc.c", line 26.6: 1506-033 (S) Function FORT_Extern is not valid. 
Function cannot return a function.
"fcmlc.c", line 26.6: 1506-282 (S) The type of the parameters must be 
specified in a prototype.
+ other errors

This should be easy to fix because machines.h is in the same directory 
as fcmlc.c but I cant find a good place to put the -I. flag.
Any suggestions?

In addition is there an easy way to turn on the possibility of seeing 
what compilation commands are being issued? In my experience this is 
essential on the Power machines.

many thanks
Andy Emerson

Dr Andrew Emerson
CINECA (High Performance Systems)
via Magnanelli, 6/3
40033 Casalecchio di Reno (BO)-ITALY
tel: +39-051-6171653, fax: +39-051-6137273
e-mail: a.emerson at cineca.it

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