[Pw_forum] problem compiling espresso-3.2 in SGI origin machine
halim said
halim_said04 at yahoo.fr
Wed Jan 10 13:46:46 CET 2007
Dear Axel,
Thank you for your reply and for the advices that you gave me, I would like to say that I checked all what you said me,
I checked Modules/make.depend
contains the line:
bfgs_module.o : basic_algebra_routines.o and it exists
But infortunately I don't have f95, I have just f90, and the problem is still the same, I could not run with success the code, is there please other way in order to solve this problem,
Thank you in advances for your help.
Regards,
Halim
Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu> a écrit : On Tue, 9 Jan 2007, halim said wrote:
HS> Dear Axel and Paolo,
HS>
HS> I am compiling espress-3.2 code in SGI origin machine, when I am taping
be prepared to suffer. SGI origins have inflicted a lot of
pain on me at times. good thing, they are more or less
obsolete these days...
HS> ./configure
HS>
HS> every thing is fine.
configure does next to no consistency checking on the fortran
side, so a completed configure does not have much meaning
except that it is required. simply using and adapting
an existing make.sys template is no longer sufficient.
HS> but when I am taping gmake all,
HS>
HS> there are some errors appear, how to deal with this problem in order
HS> to success for compiling the code.
HS>
HS> Below I am attaching configure and the errors which appeared after gmake
HS>
HS> Your help and support are highly appreciate.
HS>
HS> Regards,
HS>
HS> Halim
HS>
HS>
[...]
HS> --------------------------------------------------------------------
HS>
HS> The following libraries have been found:
HS> BLAS_LIBS=-lcomplib.sgimath
HS> LAPACK_LIBS=../flib/lapack.a
HS> FFT_LIBS=
HS> MPI_LIBS=-lmpi
HS> Parallel environment detected successfully.
HS> Configured for compilation of parallel executables.
HS> configure: success
ok. looking normal up to here...
HS> espresso.3-2> gmake all
HS> gmake[1]: Leaving directory `/h2/home/espresso-3.2/iotk'
HS> ( cd Modules ; if test "gmake" = "" ; then make TLDEPS= all ; \
HS> else gmake TLDEPS= all ; fi )
HS> gmake[1]: Entering directory `/h2/home/espresso-3.2/Modules'
HS> f90 -mips4 -64 -O2 -r10000 -r8 -ftpp -macro_expand -D__COMPLIB -D__ORIGIN -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA -I../include -I./ -I../Modules -I../iotk/src -I../PW -I../PH -I../CPV -c io_global.f90
HS> This product's license is for 2 CPU's; Your system has 7 CPU's
hmmmmmm.... looks like you need to pay SGI some more money. ;-)
but that should apply only at run-time.
HS>
HS> MODULE bfgs_module
HS> ^
HS> f90-855 f90: ERROR BFGS_MODULE, File = bfgs_module.f90, Line = 9, Column = 8
HS> The compiler has detected errors in module "BFGS_MODULE". No module information file will be created for this module.
HS>
HS> IF ( ( grad(:) .dot. step(:) ) > 0.D0 ) THEN
HS> ^
HS> f90-318 f90: ERROR GDIIS_STEP, File = bfgs_module.f90, Line = 464, Column = 26
HS> The operator "dot" has not been declared as a user defined operator.
ok. this means that either the sgi compiler is not sufficiently
fortran 95 compliant or, that the prerequisite module
basic_algebra_routines.f90 has not been compiled correctly.
please do a 'gmake clean ; gmake all' to make sure that you
are not continuing from a previous broken compile.
please also make sure that Modules/make.depend
contains the line:
bfgs_module.o : basic_algebra_routines.o
and if that does not help, i'd try to change
F90 = f90
MPIF90 = f90
LD = f90
to
F90 = f95
MPIF90 = f95
LD = f95
in make.sys
axel.
HS>
HS> step(:) = - ( inv_hess(:,:) .times. grad(:) )
HS> ^
HS> f90-318 f90: ERROR GDIIS_STEP, File = bfgs_module.f90, Line = 469, Column = 42
HS>
HS> f90: MIPSpro Fortran 90 Version 7.3 (f52) Mon Jan 8, 2007 11:53:12
HS> f90: 1008 source lines
HS> f90: 3 Error(s), 0 Warning(s), 0 Other message(s), 0 ANSI(s)
HS> cf90: "explain cf90-message number" gives more information about each message
HS> gmake[1]: *** [bfgs_module.o] Error 2
HS> gmake[1]: Leaving directory `/h2/home/espresso-3.2/Modules'
HS> gmake: *** [mods] Error 2
HS>
HS>
HS>
HS> __________________________________________________
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--
=======================================================================
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
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