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

[Gregory Magoon]

Thanks very much Andy,
I've finally got a working build that passes all the tests by using ACML, as
you suggested (ironically, the system has an Intel processor). I still haven't
figured out what I'm doing wrong with ATLAS, but it is a more-or-less a moot
point as the ACML version seems to be nearly as fast as the faulty builds with
ATLAS.

Thanks for your help on this,
Greg

Quoting Andy May <MayAJ1 at cardiff.ac.uk>:

> 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
>>
>