Can you try to generate a backtrace for the mknb crash using gdb, in case this offers some insight?
$ gdb mknb gdb> r -software_invsqrt ... gdb> bt (backtrace output appears here)
--Tom
On May 31, 2006, at 11:33 AM, Jones de Andrade wrote: Hi David. First, thanks for your time. ;) Unfortunatelly, it seems that the simple flag it is not quite enough still... :( If it was not a well known fact that intel compiler yelds you some extra performance for gromacs, and if I would not want to try to make QM/MM of gromacs+cpmd (and, in this case, I DO prefer to not mix compilers), I would have gave up this compiler already. :( Well, here is what I got: I tried to put the suggested "CFLAGS" as an option in the "make" line, and that didn't work. So I set the CFLAGS by hand before the make. Since tht was not enough too, I did the compilations by hand, one compilation line after the other. Here we go (before anybody asks: it failed at the exact same point... :( ): ********************************************************************************************************************* CruNumMac# rm *.o CruNumMac# rm mknb CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -c -o mknb.o mknb.c CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -c -o mknb_metacode.o mknb_metacode.c CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -c -o mknb_common.o mknb_common.c CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -c -o mknb_declarations.o mknb_declarations.c CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -c -o mknb_outerloop.o mknb_outerloop.c CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -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; ^ CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -c -o mknb_interactions.o mknb_interactions.c CruNumMac# /usr/local/intel/bin/icc -DHAVE_CONFIG_H -I. -I. -I../../../../src -g -o mknb mknb.o mknb_metacode.o mknb_common.o mknb_declarations.o mknb_outerloop.o mknb_innerloop.o mknb_interactions.o CruNumMac# rm -f kernel-stamp CruNumMac# ./mknb -software_invsqrt >>> Gromacs nonbonded kernel generator (-h for help) >>> Generating single precision functions in C. >>> Using Gromacs software version of 1/sqrt(x). Falha de segmentação **************************************************************************************************************** Unfortunately, it means that I'm back to the beggining. I've also tried the "-debug extended" option instead of "-g", and that yelded exactly same results... :( Any suggestion at this point? Thanks a lot in advance. Jones
On 5/31/06, David van der Spoel <[EMAIL PROTECTED]> wrote: > The error I get is still the following: > ****************************************************************************** > ./mknb -software_invsqrt > >>> 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 > *****************************************************************************
your problem here is that the mknb program crashes with a SEGV, which is weird. You could try make CFLAGS=-g mknb ./mknb -software_invsqrt make install
Obviously if mknb crashed due to compiler bugs then you might not want to use that compiler anyway, but if there is a real problem in the program you will be able to debug it.
-- 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 [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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