[gmx-users] Installation Error on an Athlon64 with Intel Compiler

[Yang Ye]

Jones de Andrade wrote:
> Hi all!
>
> I'm trying to compile gromacs 3.3.1 on an Athlon64 (core venice) with 
> the intel compiler (icc version 9.0.030). I've tried a lot of flags, 
> and also no flags. All times I get the following error, after which 
> everything fails:
It is not related to FLAGS.
> /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -c 
> -o mknb_innerloop.o mknb_innerloop.c
> mknb_innerloop.c(362): warning #188: enumerated type mixed with 
> another type
>                         mknb_func.coul=coulsave;
>                                       ^
>
> mknb_innerloop.c(363): warning #188: enumerated type mixed with 
> another type
>                         mknb_func.vdw=vdwsave;
>                                      ^
>
These warnings are common with icc, which claims to be a more standard 
compiler.
> /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -c 
> -o mknb_interactions.o mknb_interactions.c
> /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -o 
> mknb mknb.o mknb_metacode.o mknb_common.o mknb_declarations.o 
> mknb_outerloop.o mknb_innerloop.o mknb_interactions.o
> rm -f kernel-stamp
> ./mknb   -software_invsqrt
Would like to go to 
/home/johannes/src/gromacs/gromacs-3.3/src/gmxlib/nonbonded/nb_kernel 
and run this command.
./mknb -software_invsqrt

This program has some problem to run. I suspect that you are using a 
32-bit ICC in conjunction with 64-bit system library.
> >>> Gromacs nonbonded kernel generator (-h for help)
> >>> Generating single precision functions in C.
> >>> Using Gromacs software version of 1/sqrt(x).
> make[5]: *** [kernel-stamp] Falha de segmentação
> make[5]: Leaving directory 
> `/home/johannes/src/gromacs/gromacs-3.3/src/gmxlib/nonbonded/nb_kernel'
> make[4]: ** [all-recursive] Erro 1
> .
> .
> .
>
> Does anybody got such an error before? The program compiled well 
> within gcc and pgi compilers.
>
> Thanks in advance for everything! :D
>
> Jones
> ------------------------------------------------------------------------
>
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