Re: [gmx-users] Why does the -append option exist?

2011-06-09 Thread Roland Schulz
Hi, yes that helps a lot. One more question. What filesystem on hopper 2 are you using for this test (home, scratch or proj, to see if it is Lustre or GPFS) ? And are you running the test on the login node or on the compute node? Thanks Roland On Wed, Jun 8, 2011 at 1:17 PM, Dimitar Pachov

Re: [gmx-users] Why does the -append option exist?

2011-06-09 Thread Dimitar Pachov
Hi, On Thu, Jun 9, 2011 at 2:55 AM, Roland Schulz rol...@utk.edu wrote: Hi, yes that helps a lot. One more question. What filesystem on hopper 2 are you using for this test (home, scratch or proj, to see if it is Lustre or GPFS) ? I used home. And are you running the test on the login

Re: [gmx-users] Why does the -append option exist?

2011-06-08 Thread Sander Pronk
Hi Dimitar,Thanks for the bug report. Would you mind trying the test program I attached on the same file system that you get the truncated files on?compile it with gcc testje.c -o testioSander testje.c Description: Binary data On Jun 7, 2011, at 23:21 , Dimitar Pachov wrote:Hello,Just a quick

Re: [gmx-users] Why does the -append option exist?

2011-06-08 Thread Dimitar Pachov
Hello, On Wed, Jun 8, 2011 at 4:21 AM, Sander Pronk pr...@cbr.su.se wrote: Hi Dimitar, Thanks for the bug report. Would you mind trying the test program I attached on the same file system that you get the truncated files on? compile it with gcc testje.c -o testio Yes, but no problem:

Re: [gmx-users] Why does the -append option exist?

2011-06-07 Thread Dimitar Pachov
Hello, Just a quick update after a few shorts tests we (my colleague and I) quickly did. First, using *You can emulate this yourself by calling sleep 10s before mdrun and see if that's long enough to solve the latency issue in your case.* doesn't work for a few reasons, mainly because it

Re: [gmx-users] Why does the -append option exist?

2011-06-07 Thread Justin A. Lemkul
Dimitar Pachov wrote: Hello, Just a quick update after a few shorts tests we (my colleague and I) quickly did. First, using /You can emulate this yourself by calling sleep 10s before mdrun and see if that's long enough to solve the latency issue in your case./ doesn't work for a few

Re: [gmx-users] Why does the -append option exist?

2011-06-05 Thread Mark Abraham
On 5/06/2011 12:31 PM, Dimitar Pachov wrote: This script is not using mdrun -append. -append is the default, it doesn't need to be explicitly listed. Ah yes, very true. Your original post suggested the use of -append was a problem. Why aren't we seeing a script with mdrun

Re: [gmx-users] Why does the -append option exist?

2011-06-05 Thread Dimitar Pachov
On Sun, Jun 5, 2011 at 2:14 AM, Mark Abraham mark.abra...@anu.edu.auwrote: On 5/06/2011 12:31 PM, Dimitar Pachov wrote: As I said, the queue is like this: you submit the job, it finds an empty node, it goes there, however seconds later another user with higher privileges on that particular

Re: [gmx-users] Why does the -append option exist?

2011-06-05 Thread Mark Abraham
On 5/06/2011 5:42 PM, Dimitar Pachov wrote: On Sun, Jun 5, 2011 at 2:14 AM, Mark Abraham mark.abra...@anu.edu.au mailto:mark.abra...@anu.edu.au wrote: On 5/06/2011 12:31 PM, Dimitar Pachov wrote: As I said, the queue is like this: you submit the job, it finds an empty node, it

Re: [gmx-users] Why does the -append option exist?

2011-06-05 Thread Francesco Oteri
Dear Dimitar, I'm following the debate regarding: The point was not why I was getting the restarts, but the fact itself that I was getting restarts close in time, as I stated in my first post. I actually also don't know whether jobs are deleted or suspended. I've thought that a job returned

Re: [gmx-users] Why does the -append option exist?

2011-06-05 Thread Mark Abraham
On 5/06/2011 11:08 PM, Francesco Oteri wrote: Dear Dimitar, I'm following the debate regarding: The point was not why I was getting the restarts, but the fact itself that I was getting restarts close in time, as I stated in my first post. I actually also don't know whether jobs are deleted

Re: [gmx-users] Why does the -append option exist?

2011-06-05 Thread Roland Schulz
Two comments about the discussion: 1) I agree that buffered output (Kernel buffers - not application buffers) should not affect I/O. If it does it should be filed as bug to the OS. Maybe someone can write a short test application which tries to reproduce this idea. Thus writing to a file from one

Re: [gmx-users] Why does the -append option exist?

2011-06-04 Thread Dimitar Pachov
By the way, is this ever reviewed: Your mail to 'gmx-users' with the subject Re: [gmx-users] Why does the -append option exist? Is being held until the list moderator can review it for approval. On Fri, Jun 3, 2011 at 9:24 PM, Mark Abraham mark.abra...@anu.edu.au wrote: On 4/06/2011 8

Re: [gmx-users] Why does the -append option exist?

2011-06-04 Thread Rossen Apostolov
Hi, On Jun 4, 2011, at 19:11, Dimitar Pachov dpac...@brandeis.edu wrote: By the way, is this ever reviewed: Your mail to 'gmx-users' with the subject Re: [gmx-users] Why does the -append option exist? Is being held until the list moderator can review it for approval

Re: [gmx-users] Why does the -append option exist?

2011-06-04 Thread Jussi Lehtola
On Fri, 3 Jun 2011 18:26:17 -0400 Dimitar Pachov dpac...@brandeis.edu wrote: If one uses that option and the run is restarted and is again restarted before reaching the point of attempting to write a file, then things are lost, and most importantly, the most important piece of data, that being

Re: [gmx-users] Why does the -append option exist?

2011-06-04 Thread Mark Abraham
On 5/06/2011 3:11 AM, Dimitar Pachov wrote: On Fri, Jun 3, 2011 at 9:24 PM, Mark Abraham mark.abra...@anu.edu.au mailto:mark.abra...@anu.edu.au wrote: On 4/06/2011 8:26 AM, Dimitar Pachov wrote If this is true, then it wants fixing, and fast, and will get it :-) However, it

Re: [gmx-users] Why does the -append option exist?

2011-06-04 Thread Dimitar Pachov
On Sat, Jun 4, 2011 at 9:09 PM, Mark Abraham mark.abra...@anu.edu.auwrote: On 5/06/2011 3:11 AM, Dimitar Pachov wrote: On Fri, Jun 3, 2011 at 9:24 PM, Mark Abraham mark.abra...@anu.edu.au wrote: On 4/06/2011 8:26 AM, Dimitar Pachov wrote Here is an example:

[gmx-users] Why does the -append option exist?

2011-06-04 Thread chris . neale
Dear Dimitar: to me, your posts have indeed appeared very aggressive. So much so that there are probably many people who can help who have decided not to bother due to what they perceive your tone to be. On to the problem at hand: I agree with the previous suggestion that you may have

[gmx-users] Why does the -append option exist?

2011-06-03 Thread Dimitar Pachov
At first, I thought the -append option of the mdrun command was great. However, I don't think it is anymore and have actually started questioning myself why it exists at the first place, and second, why has it become the default option in the newest versions? It is useless unless you run your

Re: [gmx-users] Why does the -append option exist?

2011-06-03 Thread Amit Choubey
Well sometimes i run out of walltime when doing long simulations and append helps me not to do any file management after restarting simulations from the previous checkpoint. On Fri, Jun 3, 2011 at 3:26 PM, Dimitar Pachov dpac...@brandeis.edu wrote: At first, I thought the -append option of the

Re: [gmx-users] Why does the -append option exist?

2011-06-03 Thread Mark Abraham
On 4/06/2011 8:26 AM, Dimitar Pachov wrote: At first, I thought the -append option of the mdrun command was great. However, I don't think it is anymore and have actually started questioning myself why it exists at the first place, and second, why has it become the default option in the