[Wien] Running Wien2k on a MacPro OS 10.7.3 - setrlimit(): Invalid argument

[Aaron Sutton]

Hi,
The modified W2kutils.c & W2kutils.h files DID in fact fix the issue.
I simply made an error when recompiling lapw0,1,2, so WIEN2k is now
running natively on a mac. Thank you for all your help!

----------------------------------------------------------------------------
Aaron Sutton
Ph.D. Candidate | University of Toronto
Office: McLennan MP090 | Phone: +1 416 946 3639
Email: asutton at physics.utoronto.ca



On Fri, Apr 13, 2012 at 14:10, Laurence Marks <L-marks at northwestern.edu> wrote:
> I am not exactly sure. Michael Sternberg (who I am cc'ing) looked into
> this as he has a Mac and I don't. The issue relates to differences in
> the calls to setrlimit and perhaps getrlimit which seem to be
> different for a Mac. (Alas, system calls are often not as standard as
> Fortran.) There were some problems which I thought we fixed, but I
> seem to remember that we never heard back if the latest modification
> worked. The version I have has (in W2kutils.c) has the subroutine.
>
> void w2k_extend_limits()
> {
>    struct rlimit limit;
>
>    /* Get current limit */
>    if (getrlimit(RLIMIT_STACK, &limit) != 0) {
>        perror("getrlimit(): WARNING: Cannot find stack limits, continuing");
>    }
>
>    /* Set to the maximum we can */
>    /* Some systems do not allow RLIM_INFINITY */
>    /* Extend to current hard limit ("ulimit -S -s hard" in bash) */
>    limit.rlim_cur = limit.rlim_max ; /* RLIM_INFINITY */
>
>    if (setrlimit(RLIMIT_STACK, &limit) != 0) {
>        perror("setrlimit(): WARNING: Cannot raise stack limit, continuing");
>    }
> }
>
> Please check this against your version. (Michael, I think this is your
> version except I allowed the code to continue.)
>
> The worst case solution is to comment out the line "       call
> w2k_extend_limits()" in W2kinit.f but I would not like to do this in
> general. The reason is that this call avoids the user having to run
> the ulimit command which sometimes they forgot to do and (worst) is in
> fact almost impossible to do with openmpi (deliberate by the openmpi
> designers). There used to be numerous mails on the list about SIGSEV
> due to ulimit which have now gone away.
>
> A better solution is something which can adapt to the fact that the
> compilation is on a Mac, e.g. something like.
>
> #ifdef I_Have_A_Mac
> ...
> #else
> ...
> #endif
>
> Please let me know what you find; we (perhaps more Michael) can probably help.
>
> On Fri, Apr 13, 2012 at 12:42 PM, Aaron Sutton
> <asutton at physics.utoronto.ca> wrote:
>> Hi,
>> Thanks for the response. I found
>> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-July/015120.html
>> in the mailing list archive which describes patching the W2kutils.c &
>> W2kutils.h files in lapw0,1,2, though this is not mac specific. I did
>> this and recompiled but still get the setrlimit():invalid argument
>> error. Is it possible that I'm using an outdated version? I would have
>> downloaded it sometime in November 2011.
>>
>> ----------------------------------------------------------------------------
>> Aaron Sutton
>> Ph.D. Candidate | University of Toronto
>> Office: McLennan MP090 | Phone: +1 416 946 3639
>> Email: asutton at physics.utoronto.ca
>>
>>
>>
>> On Thu, Apr 12, 2012 at 16:56, Laurence Marks <L-marks at northwestern.edu> wrote:
>>> You are right, Mac is not standard linux and restricts the rights of
>>> users to do things such as setting ulimit (which is done now in the
>>> code to avoid problems). Please search the mailing list -- I think a
>>> Mac specific patch was posted some time ago.
>>>
>>> On Thu, Apr 12, 2012 at 3:53 PM, Aaron Sutton
>>> <asutton at physics.utoronto.ca> wrote:
>>>> Hi,
>>>> Hoping someone can help with running Wien2k on a Mac under 10.7.3
>>>> Lion. Everything compiled fine using gcc & intel fortran 11.1. The
>>>> calculation initializes fine, but as soon as I start the calculation I
>>>> get "setrlimit(): Invalid argument", which is apparently a mac
>>>> limitation. How do I avoid this setrlimit issue? I can run Wien2k
>>>> perfectly fine under linux in a VM but I'd prefer to run it natively.
>>>>
>>>> Thanks very much.
>>>> ----------------------------------------------------------------------------
>>>> Aaron Sutton
>>>> Ph.D. Candidate | University of Toronto
>>>> Office: McLennan MP090 | Phone: +1 416 946 3639
>>>> Email: asutton at physics.utoronto.ca
>>>> _______________________________________________
>>>> Wien mailing list
>>>> Wien at zeus.theochem.tuwien.ac.at
>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>
>>>
>>>
>>> --
>>> Professor Laurence Marks
>>> Department of Materials Science and Engineering
>>> Northwestern University
>>> www.numis.northwestern.edu 1-847-491-3996
>>> "Research is to see what everybody else has seen, and to think what
>>> nobody else has thought"
>>> Albert Szent-Gyorgi
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu 1-847-491-3996
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought"
> Albert Szent-Gyorgi
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien