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> __________________________________________________ HS> Do You Yahoo!? HS> En finir avec le spam? Yahoo! Mail vous offre la meilleure protection possible contre les messages non sollicit?s HS> http://mail.yahoo.fr Yahoo! Mail -- ======================================================================= 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.
