[Pw_forum] Operating system error: Cannot allocate memory

[Axel Kohlmeyer]

On Thu, Nov 7, 2013 at 3:37 PM, Chan, Eric <Eric.Chan at bms.com> wrote:
> Hello.

> In an attempt to do geometry optimization for a molecular crystal
>
> and using a simple script to screen possible ecutwfc values. Prior to
> relaxation.
>
>
>
> For cygwin installation  compiling using :
>
>
>
> ./configure ARCH=cygwin
>
> make all
>
>
>
>
>
> running pw.x in serial mode.
>
>
>
> get memory allocation errors for systems with larger ecutwfc values..

that usually is an indication that you are running out of address
space. is your cygwin environment 32-bit or 64-bit?
probably 32bit, right? and then you are limited in your total address
space. having more RAM doesn't help much.

> this did not occur for the same executables compiled on my linux redhat
> system (which has less memory and slower cores)
>
> the calcualtions will run but they take much longer.
>
>
>
> this means I cannot screen the values properly (or do a proper calculation)
> using the windows machine (this actually has more memory and more cores).

if you are like some adventure and giving debugging feedback, i have
some precompiled installer packages for 32-bit and 64-bit windows with
and without MPI. please contact me off-list, if you are interested to
give it a shot and i'll send you the URL with the download and
installation info.

axel.


>
>
>
> I am not sure this helps but what I noticed is that the stack size limits
> were different  :
>
>
>
> On cygwin
>
>
>
> $ ulimit -a
>
> core file size          (blocks, -c) unlimited
>
> data seg size           (kbytes, -d) unlimited
>
> file size               (blocks, -f) unlimited
>
> open files                      (-n) 256
>
> pipe size            (512 bytes, -p) 8
>
> stack size              (kbytes, -s) 2034
>
> cpu time               (seconds, -t) unlimited
>
> max user processes              (-u) 256
>
> virtual memory          (kbytes, -v) 2097152
>
>
>
>
>
> On red hat
>
>
>
> % limit
>
> cputime      unlimited
>
> filesize     unlimited
>
> datasize     unlimited
>
> stacksize    10240 kbytes
>
> coredumpsize 0 kbytes
>
> memoryuse    unlimited
>
> vmemoryuse   unlimited
>
> descriptors  1024
>
> memorylocked 32 kbytes
>
> maxproc      36864
>
>
>
>
>
> However it turns out on cygwin you cannot actually change the limits.
>
>
>
> Does anyone know a possible compiler option to allow the executables to
> properly access the memory resources
>
>  or will I be forced to parallelize  just because I am trying to use cygwin
> for the job ?
>
>
>
> Regards,
>
>
>
>
>
> Eric J. Chan
>
> Research Investigator
>
> Materials Science
>
> Drug Product Science & Technology
>
>
>
> Bristol-Myers Squibb R&D
>
> 1 Squibb Drive
>
> New Brunswick, NJ 08903
>
>
>
> Tel:  (732) 227-7132
>
> Email: eric.chan at bms.com
>
>
>
>
>
>
>
>
>
>
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.