[gmx-users] pointer errors when compiling parallel mdrun with intel compiler

[David van der Spoel]

Lubos Vrbka wrote:
> hi guys,
> 
> would please anybody suggest how to solve the following problem? i am 
> really hopeless... single processor version compiled without any 
> problems. for both, i use intel compiler version 9.1.
> 
> thank you in advance for any hints. i personally don't see any problem 
> in assigning pointer to void to pointer to some other type, but it seems 
> that this compiler has another attitude :( unfortunately i cannot use 
> anything else and need to get gromacs running.
> 
> if you are interested what 'mpiFCC -compiler intel' does:
> icpc -L/opt/intel/fc/9.1.033/lib -L/opt/FJSVpnple/lib 
> -L/opt/FJSVpnidt/lib -L/opt/FJSVplang/lib -L/opt/FJSVplang/lib -lmpi_i++ 
> -lmpi_i -lfjgmp64 -ljrm -lfjidt -lifcore -lpthread -lrt -ldl
> 

why bother with the intel compiler?

However, if you can find a *portable* construct that fixes this it would 
be welcome...


> regards,
> lubos
> ==================
> 
> make[3]: Entering directory 
> `/home1/users/se7/software/_src/gromacs-3.3.1/src/gmxlib/nonbonded/nb_kernel' 
> 
> mpiFCC -compiler intel -DHAVE_CONFIG_H -I. -I. -I../../../../src -c -o 
> mknb_declarations.o mknb_declarations.c
> mknb_declarations.c(146): error: argument of type "const char *" is 
> incompatible with parameter of type "char *"
>       mknb_assign( mknb_fortran ? "outeriter" : "*outeriter" ,
>                    ^
> 
> mknb_declarations.c(147): error: argument of type "const char *" is 
> incompatible with parameter of type "char *"
>                    mknb_options.threads ? "nouter" : "nri");
>                    ^
> 
> mknb_declarations.c(148): error: argument of type "const char *" is 
> incompatible with parameter of type "char *"
>       mknb_assign( mknb_fortran ? "inneriter" : "*inneriter" ,
>                    ^
> 
> mknb_declarations.c(149): error: argument of type "const char *" is 
> incompatible with parameter of type "char *"
>                    mknb_options.threads ? "ninner" : "nj1");
>                    ^
> 
> mknb_declarations.c(370): error: argument of type "const char *" is 
> incompatible with parameter of type "char *"
>                       mknb_array("iinr",(mknb_fortran) ? "1" : "0"),
>                                         ^
> 
> compilation aborted for mknb_declarations.c (code 2)
> make[3]: *** [mknb_declarations.o] Error 2
> 
> interestingly, it doesn't stop here and goes on, where it stops completely:
> 
>  mpiFCC -compiler intel -DHAVE_CONFIG_H -I. -I. -I../../src 
> -I/usr/X11R6/include -I../../include 
> -DGMXLIBDIR=\"/home/users/se7/software/gromacs-3.3.1/share/top\" 
> -I/home/users/se7/software/fftw/include -mp -DANSI 
> -I/usr/local/vni/imsl/cnl600/itanium/include -MT constr.lo -MD -MP -MF 
> .deps/constr.Tpo -c constr.c -o constr.o
> constr.c(154): error: a value of type "void *" cannot be assigned to an 
> entity of type "int *"
>         snew(owptr,nsettle);
>         ^
> 
> constr.c(191): error: a value of type "void *" cannot be assigned to an 
> entity of type "t_sortblock *"
>         snew(sb,ncons);
>         ^
> 
> constr.c(220): error: a value of type "void *" cannot be assigned to an 
> entity of type "int *"
>         snew(sblock,nblocks+1);
>         ^
> 
> compilation aborted for constr.c (code 2)
> make[1]: *** [constr.lo] Error 1
> make[1]: Leaving directory 
> `/home1/users/se7/software/_src/gromacs-3.3.1/src/mdlib'
> (cd ./src/kernel && make mdrun ; exit 0)
> make[1]: Entering directory 
> `/home1/users/se7/software/_src/gromacs-3.3.1/src/kernel'
> if mpiFCC -compiler intel -DHAVE_CONFIG_H -I. -I. -I../../src 
> -I/usr/X11R6/include  -I../../include 
> -DGMXLIBDIR=\"/home/users/se7/software/gromacs-3.3.1/share/top\" 
> -I/home/users/se7/software/fftw/include  -mp -DANSI 
> -I/usr/local/vni/imsl/cnl600/itanium/include -MT glaasje.o -MD -MP -MF 
> ".deps/glaasje.Tpo" -c -o glaasje.o glaasje.c; \
> then mv -f ".deps/glaasje.Tpo" ".deps/glaasje.Po"; else rm -f 
> ".deps/glaasje.Tpo"; exit 1; fi
> glaasje.c(88): error: a value of type "void *" cannot be assigned to an 
> entity of type "real={double} *"
>         snew(c6,atnr);
>         ^
> 
> glaasje.c(89): error: a value of type "void *" cannot be assigned to an 
> entity of type "real={double} *"
>         snew(c12,atnr);
>         ^
> 
> compilation aborted for glaasje.c (code 2)
> make[1]: *** [glaasje.o] Error 1
> make[1]: Leaving directory 
> `/home1/users/se7/software/_src/gromacs-3.3.1/src/kernel'
> 


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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