[molpro-user] Parallel 2009.1 compilation on AIX5.3

[Andy May]

Reuti,

The error comes from updating the library, which in your case involves
replacing every single object file in the library. On AIX the shell can
not cope with a command line this long. The solution, which in this case
will be faster anyway, is to:

rm -f lib/libmolpro.a

and then 'make', which will rebuild the library from scratch.

We have not built the MPI2 only parallel version of Molpro on AIX, but
several people have built parallel Molpro with GA using TCGMSG-MPI
build. I have not done this directly, but according to some
correspondence, GA 4-2 can be built with:

#!/bin/csh
setenv USE_MPI y
setenv TARGET LAPI64
setenv MPI_INCLUDE /usr/lpp/ppe.poe/include
setenv MPI_LIB /usr/lpp/ppe.poe/lib
setenv LIBMPI -lmpi
gmake FC=mpxlf CC=xlc

and then configure Molpro to use the GA build as per the installation guide.

Best wishes,

Andy

On 23/12/09 22:08, Reuti wrote:
> Hi,
> 
> what is the preferred way to compile a parallel Molpro 2009.1 patch  
> 21 on an AIX5.3 operating system using xlf/xlc?
> 
> - Open MPI is currently unsupported on AIX
> 
> - Using "-mppbase /usr/lpp/ppe.poe/include" compiles up to (i.e. a  
> plain MPI compilation w/o GA):
> 
> ...
> compiling ppidd_eaf_c.c
> failed
> "ppidd_eaf_c.c", line 187.20: 1506-275 (S) Unexpected text request  
> encountered.
> "ppidd_eaf_c.c", line 187.7: 1506-045 (S) Undeclared identifier  
> MPIO_Request.
> "ppidd_eaf_c.c", line 195.68: 1506-045 (S) Undeclared identifier  
> request.
> "ppidd_eaf_c.c", line 268.20: 1506-275 (S) Unexpected text request  
> encountered.
> "ppidd_eaf_c.c", line 268.7: 1506-045 (S) Undeclared identifier  
> MPIO_Request.
> "ppidd_eaf_c.c", line 276.67: 1506-045 (S) Undeclared identifier  
> request.
> "ppidd_eaf_c.c", line 311.20: 1506-277 (S) Syntax error: possible  
> missing ';' or ','?
> "ppidd_eaf_c.c", line 311.7: 1506-045 (S) Undeclared identifier  
> MPIO_Request.
> "ppidd_eaf_c.c", line 314.156: 1506-045 (S) Undeclared identifier  
> request.
> "ppidd_eaf_c.c", line 350.7: 1506-045 (S) Undeclared identifier  
> MPIO_Request.
> "ppidd_eaf_c.c", line 350.21: 1506-045 (S) Undeclared identifier  
> array_of_requests.
> "ppidd_eaf_c.c", line 351.39: 1506-275 (S) Unexpected text ')'  
> encountered.
> "ppidd_eaf_c.c", line 351.74: 1506-277 (S) Syntax error: possible  
> missing ')' or ','?
> "ppidd_eaf_c.c", line 385.20: 1506-277 (S) Syntax error: possible  
> missing ';' or ','?
> "ppidd_eaf_c.c", line 385.7: 1506-045 (S) Undeclared identifier  
> MPIO_Request.
> "ppidd_eaf_c.c", line 388.131: 1506-045 (S) Undeclared identifier  
> request.
> 
> Then I tried to add -DMPIO_USES_MPI_REQUEST in CONFIG to CFLAGS and  
> got some steps further - ppidd_eaf_c.c compiles fine. Now many  
> symbols are missing, obviously from the MPI library as all begin  
> with .MPI_... (note the dot at the beginning).
> 
> So I added to the LIBS entry in the CONFIG file ==> -L/usr/lpp/ 
> ppe.poe/lib -lmpi
> 
> But it looks, like the default MPI library uses an underscore at the  
> end instead of the dot at the beginning. So I added to FCFLAGS ==> - 
> qextname
> 
> I removed all compiled objects, recompiled and now I'm stuck at this  
> error:
> 
> Updating ../lib/libmolpro.a
> ar -X64 -r ../lib/libmolpro.a global/atomic_radii.o global/ 
> configuration_symbols.o global/flags.o global/fortran_io.o global/ 
> molpro_intrinsic.o global/molpro_options2.o global/prt.o global/ 
> result.o global/sorting.o global/spherical_transform.o global/xml.o  
> global/...
> <many many many lines with object files>
> make[2]: execvp: ar: The parameter or environment lists are too long.
> make[2]: *** [../lib/libmolpro.a] Error 127
> make[2]: Leaving directory `/home/reuter/molpro2009.1/src'
> make[1]: *** [library] Error 2
> make[1]: Leaving directory `/home/reuter/molpro2009.1/src'
> make: *** [src] Error 2
> 
> 
> Is this the correct way to do it or am I doing something terribly  
> wrong? How to continue?
> 
> 
> -- Reuti
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