[CP2K:1963] Re: compilation on a power5

[Marius Retegan]

Hi Axel,

I've changed the -qmaxmem flag to something reasonable. Also I've compiled
the entire code without any optimizations, but no luck. md_run.f90 is still
causing problems.
While compiling I followed the memory usage in real time. I get something
like this:

$ vmstat 1 10

System Configuration: lcpu=32 mem=31744MB

kthr    memory              page              faults        cpu
----- ----------- ------------------------ ------------ -----------
 r  b   avm   fre  re  pi  po  fr   sr  cy  in   sy  cs us sy id wa
17  0 1548187 6283570   0   0   0   0    0   0  26 2106712 1295 96  2  1  0
16  1 1396330 6435419   0   0   0   0    0   0   4 2328892 597 94  6  0  0
17  0 1284356 6546951   0   0   0   0    0   0  33 1309125 2236 91  4  5  0
15  0 1286970 6544337   0   0   0   0    0   0   1 130634 486 93  0  6  0
16  0 1287040 6544267   0   0   0   0    0   0   9 254347 472 93  1  6  0
16  0 1287147 6544160   0   0   0   0    0   0   5 254371 473 93  0  6  0

The compiler on the machine is indeed an older version 10.1. Apparently,
there is a newer one 11, but before I go my sysadmin with a request that he
is not going to like, I was wondering if someone here can provide some
feedback if they managed to compile cp2k on a AIX 5.3 with my vesrion of the
compiler. Also would it be possible to use statically linked binaries from a
similar machine. If yes, can someone share them :).

Thanks,
Marius

On Mon, Apr 6, 2009 at 6:55 PM, Axel <akoh... at gmail.com> wrote:

>
>
>
> On Apr 6, 4:11 am, Marius Retegan <marius.s... at gmail.com> wrote:
> > Hello,
> >
> > I'm having troubles compiling cp2k on a Power 5 machine. I would
> > appreciate any help in solving this problem.
>
> marius,
> you can try to change the -qmaxmem=-1 flag into something that
> is closer to the amount of memory that you have physically available,
> but i'd also carefully check, whether the compilers on that machine
> are actually up to date.
>
> cheers,
>    axel.
>
> > Thank you.
> > Marius
> >
> > error message:
> >
> ===================================================================================================================
> > xlf95 -qsuffix=f=f90 -c -O0 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -
> > qtune=pwr5 /p5cecic/home/mretegan/source/cp2k/makefiles/../src/
> > md_run.F
> >     1517-011: (U) Compilation ended. No more system resources
> > available.
> > 1501-511  Compilation failed for file md_run.F.
> > gmake[1]: *** [md_run.o] Error 1
> > gmake[1]: *** Waiting for unfinished jobs....
> >
> ===================================================================================================================
> >
> > arch file
> >
> ===================================================================================================================
> > CC       = cc -q64
> > CPP      = /usr/ccs/lib/cpp
> > FC       = xlf95 -qsuffix=f=f90
> > LD       = xlf95
> > AR       = ar -r -X64
> > #DFLAGS   = -D__AIX -D__ESSL -D__FFTSG -D__FFTESSL
> > DFLAGS   = -D__AIX -D__ESSL -D__FFTSG -D__FFTW3 -I/usr/local/include
> > CPPFLAGS = -C $(DFLAGS) -P
> > FCFLAGS  = -O2 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
> > FCFLAGS2 = -O0 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
> > LDFLAGS  = $(FCFLAGS) -L/p5cecic/home/cp2k/LAPACK -bnoquiet\
> >            -bmaxdata:0x80000000 -bmaxstack:0x80000000\
> >            -L/usr/local/lib
> > LIBS     = -llapack -lfftw3 -lessl -lmass -lhm
> >
> > OBJECTS_ARCHITECTURE = machine_aix.o
> >
> > pint_types.o: pint_types.F
> >         $(FC) -c $(FCFLAGS2) $<
> > md_run.o: md_run.F
> >         $(FC) -c $(FCFLAGS2) $<
> >
> ===================================================================================================================
> >
> > $ gmake VERSION=sopt ARCH=AIX-PowerPC_POWER5
> >
> > machine status:
> >
> > $ lslpp -h xlfcmp
> >
> ===================================================================================================================
> >   Fileset         Level     Action       Status       Date
> > Time
> >
> >
> ----------------------------------------------------------------------------
> > Path: /usr/lib/objrepos
> >   xlfcmp
> >                  10.1.0.0   COMMIT       COMPLETE     07/29/08
> > 17:33:16
> >
> > Path: /etc/objrepos
> >   xlfcmp
> >                  10.1.0.0   COMMIT       COMPLETE     07/29/08
> > 17:33:30
> >
> ===================================================================================================================
> >
> > vmstat
> >
> ===================================================================================================================
> > System Configuration: lcpu=32 mem=31744MB
> >
> > kthr    memory              page              faults        cpu
> > ----- ----------- ------------------------ ------------ -----------
> >  r  b   avm   fre  re  pi  po  fr   sr  cy  in   sy  cs us sy id wa
> > 11  2 1550929 6325288   0   0   0   0    1   0   7 658363 7336 57  1
> > 42  0
> > mretegan at p5cecic2: ~ > lslpp -h xlfcmp
> >   Fileset         Level     Action       Status       Date
> > Time
> >
> >
> ----------------------------------------------------------------------------
> >
> ===================================================================================================================
> >
> > ulimit -a
> >
> ===================================================================================================================
> > core file size        (blocks, -c) 1048575
> > data seg size         (kbytes, -d) unlimited
> > file size             (blocks, -f) unlimited
> > max memory size       (kbytes, -m) unlimited
> > open files                    (-n) unlimited
> > pipe size          (512 bytes, -p) 64
> > stack size            (kbytes, -s) hard
> > cpu time             (seconds, -t) unlimited
> > max user processes            (-u) 128
> > virtual memory        (kbytes, -v) unlimited
> >
> ===================================================================================================================
> >
> > TMPDIR
> > $ df -g /p5cecic
> >
> ===================================================================================================================
> > Filesystem    GB blocks      Free %Used    Iused %Iused Mounted on
> > /dev/gpfs        929.53    439.81   53%   193627    21% /p5cecic
> >
> ===================================================================================================================
> >
> > swap
> > $ lsps -a
> >
> ===================================================================================================================
> > Page Space      Physical Volume   Volume Group    Size %Used Active
> > Auto  Type
> > paging06        hdisk1            rootvg        2048MB     4   yes
> > yes    lv
> > paging05        hdisk0            rootvg        2048MB     3   yes
> > yes    lv
> > paging04        hdisk1            rootvg        2048MB     3   yes
> > yes    lv
> > paging03        hdisk0            rootvg        2048MB     3   yes
> > yes    lv
> > paging02        hdisk0            rootvg        2048MB     3   yes
> > yes    lv
> > paging01        hdisk0            rootvg        2048MB     3   yes
> > yes    lv
> > paging00        hdisk0            rootvg        2048MB     3   yes
> > yes    lv
> > hd6             hdisk1            rootvg        2048MB     3   yes
> > yes    lv
> >
> ===================================================================================================================
> >
>
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