Re: [gmx-users] blue gene running error

2012-04-28 Thread Mark Abraham
On 28/04/2012 4:14 PM, Albert wrote: hello Mar: thanks a lot for kind reply. From the link you you mentioned, it seems that this problem comes from the MD system itself. However, it goes well in my workstation. Moreover, I visualized and analyzed the results from my workstation running, ev

Re: [gmx-users] blue gene running error

2012-04-27 Thread Albert
hello Makr: thanks a lot for kind reply. From the link you you mentioned, it seems that this problem comes from the MD system itself. However, it goes well in my workstation. Moreover, I visualized and analyzed the results from my workstation running, everything goes well. I don't find any

Re: [gmx-users] blue gene running error

2012-04-27 Thread Albert
hello Mar: thanks a lot for kind reply. From the link you you mentioned, it seems that this problem comes from the MD system itself. However, it goes well in my workstation. Moreover, I visualized and analyzed the results from my workstation running, everything goes well. I don't find any p

Re: [gmx-users] blue gene running error

2012-04-27 Thread Mark Abraham
On 28/04/2012 2:04 PM, Albert wrote: hello: I am running NPT on a blue gene cluster, but the jobs always failed with following messages. However, everything goes well if I run it on my local cluster: Systems with marginally stable initial conditions can do this. See http://www.gromacs.org/

[gmx-users] blue gene running error

2012-04-27 Thread Albert
hello: I am running NPT on a blue gene cluster, but the jobs always failed with following messages. However, everything goes well if I run it on my local cluster: ---log--- ol 0.66! imb F 6% pme/F 0.45 step 900, will finish Mon Apr 30 04:46:31 20