-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| VASP found 192 degrees of freedom |
| the temperature will equal 2*E(kin)/ (degrees of freedom) |
| this differs from previous releases, where T was 2*E(kin)/(3 NIONS). |
| The new definition is more consistent |
| |
-----------------------------------------------------------------------------
What is the mean of this warning? How to deal with it ? Any reply will be appreciated.
Temperature MD
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Temperature MD
Last edited by fegg7502 on Thu Oct 16, 2008 8:32 am, edited 1 time in total.
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Temperature MD
simply ignore it. As written in the warning anyway, it is just a hint that the way the number of degrees of freedom is calculated has been changed compared to older vasp releases.
Last edited by admin on Thu Oct 16, 2008 9:01 am, edited 1 time in total.
Temperature MD
Thank you very much.But I meet another problem when I caculate the MD with VASP. At the end of running, it is not terminat normally, but with
p0_30237: p4_error: interrupt SIGSEGV: 11
rm_l_1_30250: (1709.467517) net_send: could not write to fd=5, errno = 32
forrtl: error (69): process interrupted (SIGINT)
p1_30241: (1709.467517) net_send: could not write to fd=5, errno = 32
p0_30237: (1711.548285) net_send: could not write to fd=4, errno = 32
What is the meaning of that ? How can I deal with it.
p0_30237: p4_error: interrupt SIGSEGV: 11
rm_l_1_30250: (1709.467517) net_send: could not write to fd=5, errno = 32
forrtl: error (69): process interrupted (SIGINT)
p1_30241: (1709.467517) net_send: could not write to fd=5, errno = 32
p0_30237: (1711.548285) net_send: could not write to fd=4, errno = 32
What is the meaning of that ? How can I deal with it.
Last edited by fegg7502 on Thu Oct 16, 2008 9:32 am, edited 1 time in total.
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- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
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Temperature MD
sorry, this is a networking problem of your system, not related to vasp
directly. Ask your sys admin to check the communication between the nodes.
directly. Ask your sys admin to check the communication between the nodes.
Last edited by admin on Thu Oct 16, 2008 10:25 am, edited 1 time in total.