[molpro-user] ARMCI test errors after compiling with GA/MPICH2, gfortran, ATLAS on Ubuntu 11.04

[Andy May]

Greg,

I can see nothing obvious from the output files, but faulty blas/lapack 
routines could cause such problems.

When building ATLAS I also see the 'tmpnam' warnings, but I don't see 
the rest of the errors:

Architecture configured as  Core2 (17)

Clock rate configured as 2128Mhz

Maximum number of threads configured as  2
Parallel make command configured as '$(MAKE) -j 2'

Best wishes,

Andy

On 11/06/11 00:38, Gregory Magoon wrote:
> Thanks very much for the tips, Andy. I've attached a couple of example
> .errout
> files from failed test jobs. I'll try ACML as you suggest. Regarding
> ATLAS, I
> get a few errors when running the configure script, but I figured these
> were
> benign and probably related to not being able to determine architecture,
> etc.,
> but perhaps I am mistaken?:
>
> user at kamet:~/ATLAS3.8.4/buildTMP$ ../configure --prefix=/opt/ATLAS3.8.4 -Si
> cputhrchk 0 -C if `which gfortran` -F if '-O3 -m64 -fdefault-integer-8'
> gcc -I/home/user/ATLAS3.8.4/buildTMP/..//CONFIG/include -g -w -c
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c
> gcc -I/home/user/ATLAS3.8.4/buildTMP/..//CONFIG/include -g -w -o xconfig
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/config.c atlconf_misc.o
> atlconf_misc.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
> ./xconfig -d s /home/user/ATLAS3.8.4/buildTMP/../ -d b
> /home/user/ATLAS3.8.4/buildTMP -Si cputhrchk 0 -C if /usr/bin/gfortran
> -F if
> '-O3 -m64 -fdefault-integer-8'
> atlconf_misc.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
>
> OS configured as Linux (1)
> atlconf_misc.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
>
> Assembly configured as GAS_x8664 (2)
> atlconf_misc.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
>
> Vector ISA Extension configured as SSE3 (2,28)
> atlconf_misc.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
> ERROR: enum fam=3, chip=2, mach=0
> make[3]: *** [atlas_run] Error 44
> make[2]: *** [IRunArchInfo_x86] Error 2
> atlconf_misc_BE.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
>
> Architecture configured as UNKNOWNx86 (26)
> ERROR: enum fam=3, chip=2, mach=0
> make[3]: *** [atlas_run] Error 44
> make[2]: *** [IRunArchInfo_x86] Error 2
>
> Clock rate configured as 2401Mhz
> ERROR: enum fam=3, chip=2, mach=0
> make[3]: *** [atlas_run] Error 44
> make[2]: *** [IRunArchInfo_x86] Error 2
>
> Maximum number of threads configured as 16
> atlconf_misc.o: In function `CmndResults':
> /home/user/ATLAS3.8.4/buildTMP/..//CONFIG/src/atlconf_misc.c:306:
> warning: the
> use of `tmpnam' is dangerous, better use `mkstemp'
> Parallel make command configured as '$(MAKE) -j 16'
> ERROR: enum fam=3, chip=2, mach=0
> make[3]: *** [atlas_run] Error 44
> make[2]: *** [IRunArchInfo_x86] Error 2
> Cannot detect CPU throttling.
>
> The rest of the ATLAS configure output seems to go normally without errors.
>
> Greg
>
> Quoting Andy May <MayAJ1 at cardiff.ac.uk>:
>
>> Greg,
>>
>> These jobs run with no problem when I compile ATLAS and Molpro with
>> exactly the same options on my machine. Of course there are small
>> differences because of the different Linux flavours we are using (I'm
>> using openSUSE 11.4, gcc 4.5.1), but I think it unlikely this is the
>> issue.
>>
>> Tracking back through this discussion, I see that:
>>
>> ./configure -batch -gcc -gfortran -mpp -auto-ga-tcgmsg-mpich2
>> -instroot /usr/local/molpro2010.1 -noblas -nolapack
>>
>> worked, but that:
>>
>> ./configure -batch -gcc -gfortran -mpp -auto-ga-tcgmsg-mpich2
>> -instroot /usr/local/molpro2010.1 -blaspath /opt/ATLAS3.8.4/lib
>>
>> does not. It therefore looks very much like the ATLAS on your machine
>> is not functioning correctly, but I have no idea why since it is built
>> with exactly the same options which work for me. It's pretty difficult
>> for me to debug without being able to reproduce the failures, can you
>> send me one of the .errout files from a failing job? Can you also try
>> with a different external library, eg. ACML:
>>
>> http://developer.amd.com/Downloads/acml-4-4-0-gfortran-64bit-int64.tgz
>>
>> ./configure -batch -gcc -gfortran -mpp -auto-ga-tcgmsg-mpich2
>> -instroot /usr/local/molpro2010.1 -blaspath
>> /opt/acml4.4.0/gfortran64_int64/lib
>>
>> to see what happens in this case?
>>
>> Best wishes,
>>
>> Andy
>