[CPMD-list] Compile question for PC-MPI

[Axel Kohlmeyer]

On Mon, 28 Apr 2003 11:39:45 +0800 (CST)  zxdai at theory.issp.ac.cn wrote:

>  Dear CPMDuser :
>   I have downloaded CPMD-3.7.1,then I
> Configure PC-PGI >Makefile
> Default configuration for PC-PGI.
> Use standard output for the Makefile.
> The source directory is: .
> The object directory is: .
> The file ./irat.inc is correct.
> The file ./gromos.h is consistent with normal qm.
> Add OBJECTS (object files)...done.
> Add INCFILES (include files)...done.
> Add explicit rules...done.
> Create dependencies...done dep main.
> done.
> O.K.
>  Then I  run make,however,there is following message:
> pgf77 -c -fast -Mr8 -pc64 -Msignextend -Msecond_underscore  ./my_para.f -o
>  ./my_para.o
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 19)
>   0 inform,   0 warnings,   1 severes, 0 fatal for my_start
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 42)
>   0 inform,   0 warnings,   1 severes, 0 fatal for my_end
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 117)
> PGFTN-W-0038-Symbol, mpi_comm_world, has not been explicitly declared
> (./my_para.f: 119)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_group
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 138)
> PGFTN-W-0038-Symbol, mpi_comm_world, has not been explicitly declared
> (./my_para.f: 140)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_stopall
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 176)
> PGFTN-W-0038-Symbol, mpi_comm_world, has not been explicitly declared
> (./my_para.f: 178)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_environ
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 194)
> PGFTN-W-0038-Symbol, mpi_comm_world, has not been explicitly declared
> (./my_para.f: 194)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_task_query
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 211)
> PGFTN-W-0038-Symbol, mpi_byte, has not been explicitly declared
> (./my_para.f: 217)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_bcast
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 272)
> PGFTN-W-0038-Symbol, mpi_byte, has not been explicitly declared
> (./my_para.f: 278)
> PGFTN-W-0038-Symbol, mpi_comm_world, has not been explicitly declared
> (./my_para.f: 278)
>   0 inform,   2 warnings,   1 severes, 0 fatal for my_bsend
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 299)
> PGFTN-W-0038-Symbol, mpi_status_size, has not been explicitly declared
> (./my_para.f: 299)
> PGFTN-W-0038-Symbol, mpi_byte, has not been explicitly declared
> (./my_para.f: 305)
> PGFTN-W-0038-Symbol, mpi_comm_world, has not been explicitly declared
> (./my_para.f: 305)
> PGFTN-S-0050-Adjustable or assumed size array, status, is not a dummy
> argument (./my_para.f: 305)
> PGFTN-S-0084-Illegal use of symbol mpi_status_size - adjustable array
> bounds not dummy argument or in common (./my_para.f)
>   0 inform,   3 warnings,   3 severes, 0 fatal for my_brecv
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 325)
> PGFTN-W-0038-Symbol, mpi_byte, has not been explicitly declared
> (./my_para.f: 327)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_concat
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 350)
> PGFTN-W-0038-Symbol, mpi_byte, has not been explicitly declared
> (./my_para.f: 371)
>   0 inform,   1 warnings,   1 severes, 0 fatal for my_trans
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 397)
> PGFTN-W-0038-Symbol, mpi_double_precision, has not been explicitly
> declared (./my_para.f:
> 413)
> PGFTN-W-0038-Symbol, mpi_sum, has not been explicitly declared
> (./my_para.f: 413)
> PGFTN-W-0038-Symbol, mpi_integer, has not been explicitly declared
> (./my_para.f: 418)
> PGFTN-W-0038-Symbol, mpi_max, has not been explicitly declared
> (./my_para.f: 423)
> PGFTN-W-0038-Symbol, mpi_min, has not been explicitly declared
> (./my_para.f: 429)
> PGFTN-W-0038-Symbol, mpi_prod, has not been explicitly declared
> (./my_para.f: 435)
>   0 inform,   6 warnings,   1 severes, 0 fatal for my_combine
> PGFTN-S-0017-Unable to open include file: mpif.h (./my_para.f: 465)
> PGFTN-W-0038-Symbol, mpi_status_size, has not been explicitly declared
> (./my_para.f: 465)
> PGFTN-W-0038-Symbol, mpi_byte, has not been explicitly declared
> (./my_para.f: 478)
> PGFTN-S-0050-Adjustable or assumed size array, status, is not a dummy
> argument (./my_para.f: 481)
> PGFTN-S-0084-Illegal use of symbol mpi_status_size - adjustable array
> bounds not dummy argument or in common (./my_para.f)
>   0 inform,   2 warnings,   3 severes, 0 fatal for my_shift
> make: *** [my_para.o] Error 1
> 
> 
> Could you help me  compile it correctly??

hi!

it seems, you have tried to compile a parallel cpmd version 
in the same directory before.

try 'make clean ; make'

regards,
	axel.
> 
> 
> 
> 
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> 

--

=======================================================================
Axel Kohlmeyer      e-mail:  axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.