[CPMD-list] version 3.7.2 compileing with PGF for MPI

Jim Kress jimkress at kressworks.com
Sun Aug 10 19:50:13 CEST 2003


I am using the PGI 4.2-1Workstatoion compiler set to make CPMD v3.7.2.  When
 I compile CPMD v3.7.2 using:

# ./Configure PC-PGI > Makefile
# make

Where I have removed the references to '-byteswapio' and
'-Msecond_underscore', the make process completes with

pgf77-Warning-Unknown switch: -pc64

and gives me a cpmd.x executable which runs the test cases just fine.

However, when I compile using:

# ./Configure PC-PGI-MPI > Makefile
# make

I get the following output:

rm -f cpmd.f
/lib/cpp -P -C -traditional -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT
-DPARALLEL -DMP_LIBRARY=__MPI -DMYRINET   ./cpmd.F ./cpmd.f
mpif77 -c -fast -Mr8 -pc64  -Msignextend   ./cpmd.f -o  ./cpmd.o
f77: unrecognized option `-pc64'
f771: Unrecognized option `-fast'
In file included from ./cpmd.f:11:
system.h: In subroutine `cpmd':
system.h:76:
         POINTER        (IP_NKPBL,NKPBL),(IP_KPBEG,KPBEG)
         1                              2
Unrecognized statement name at (1) and invalid form for assignment or
statement-function definition at (2)
system.h:183:
         POINTER       (IP_MAPGP,MAPGP)
         1                             2
Unrecognized statement name at (1) and invalid form for assignment or
statement-function definition at (2)
system.h:195:
         POINTER(IP_IATPT,IATPT),(IP_IPEPT,IPEPT),(IP_IATPE,IATPE)
         1                      2
Unrecognized statement name at (1) and invalid form for assignment or
statement-function definition at (2)
system.h:473:
         POINTER       (IP_NASSEL,NASSEL)
         1                               2
Unrecognized statement name at (1) and invalid form for assignment or
statement-function definition at (2)
In file included from ./cpmd.f:13:
prop.inc:52:
         POINTER        (IP_ICUBEORB,ICUBEORB),(IP_Z_11,Z_11)
         1                                    2
Unrecognized statement name at (1) and invalid form for assignment or
statement-function definition at (2)
system.h:77:
         COMMON/NKIP/   IP_NKPBL,IP_KPBEG
                        1

How do I fix this?

Thanks.

Jim




More information about the CPMD-list mailing list