fail with test input of gaussian

Hi mkcolg,

I tried to compile gaussian on fedora core2 (intel p4) with latest PGI version. Though all executables are be built out, but turning to the test inputs, i encounter the following errors:


Erroneous write during file extend. write 1248 instead of 4096
Probably out of disk space.
Write error in NtrExt1: No such file or directory

I’ve found this is quite a common problem existing on Fedora OS. But I still have no clue how to fix this.

Thanks in advance.

BR,
J

Hi Jason,

Have you run out of disk space as the message suggests?

  • Mat

No. There still have prenty of disk space (about 5 G). I really have no idea why.


BR,
J

Hi Jason,


I asked our application engineer that works with Gaussian to run it on on Fedora Core 2 and a SuSE 9.1 system. In both cases it worked fine. The scratch directory’s disk usage topped out at about 500Mb. Granted, your problem set could be larger.

Things I would check are:

  1. Does your system have disk quotas enabled and are you reaching your maximum useage?
  2. Where is your GAUSS_SCRDIR scratch directory? Is it on its own smaller partition? Are you filling up this directory?
  3. How big is your system’s swap space? Perhaps it has reached its maximum.

If this isn’t it, perhaps the someone at Gaussian has seen this error?

  • Mat

Hi Mat,

thanks for the feedback, and the application engineer’s effort. :-)

regarrding your checklist:

  1. we dont applied quota at present working parition.
  2. though GAUSS_SCRDIR is not exported before encountering the error, but on older RH version, say 7.1, I dont need to setup this env variable before running the testcases. After reset this parameter (5 GB available on the disk), problem remains.
  3. I’ve notice that our swap space is about 2GB (the same as physical memory).

What do you think result in this error? have you modified any parameter in gaussian’s source? or just compile it straighforward.

BR,
J

Hi Jason,

I went to Google.com and searched for Gaussian “erroneous write”. There were 85 hits with the following being the most relavant. Note that we have not tested this solution so do not know if it actually works or even if it’s recommended.

From: http://www.fedoraforum.org/forum/showthread.php?threadid=793

carignano
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The following was posted some time ago and go no answers on this forum. I’m having the same problem now. Anyone has a clue of what is going on?
Thanks, mac.

I have a PC which Fedora, (kernel 2.4.22-1.2149.nptl)
I can to compile the Gaussian 03 without errors, but in the execution it can not open the scratch files:

“Erroneous write during file extend. write -1 instead of 4096
Probably out of disk space.
Write error in NtrExt1: Bad address”


There are not problems of disk space.

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2004-05-19, 04:38 PM post: #3
sanfa
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Problems with Gaussian03 in Fedora
I think that it is a problem reative to the function “sbrk” in the /usr/include/unistd.h file. But I do not undertand them .

A “solution” to the problem is replace in the line 1956 of the bsd/mdutil.c file the expresion “!=” by “==”.

Though it is not the final solution, at first glance the G03 running as in other machines.

  • Mat

Thanks Mat, I’ve notice this post before. I do have tried his suggestion but in vain as well.

BR,
J