A SEGMENT FILE COULD NOT BE FOUND FOR spce

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Just Got Here
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Hello everyone!

I'm doing some qm-mm calculations on the Cineca supercomputer (Marconi A1) and I get this error:

                        NWChem Input Module
-------------------

                    Optimization of c11_avo6 fix solute 1:23
----------------------------------------
Prepare Module
--------------

Force field                           amber


Directories used for fragment and segment files

                                      /cineca/prod/opt/applications/nwchem/6.6/intelmpi--2017--binary/data/amber_t/
/marconi_work/IscrC_0DPom/FF/

Parameter files used to resolve force field parameters

                                      /cineca/prod/opt/applications/nwchem/6.6/intelmpi--2017--binary/data/amber_t/amber.par
/marconi_work/IscrC_0DPom/FF/amber.par
PDB geometry c11_avo6qm_nw.pdb

Created segment                       /marconi_work/IscrC_0DPom/FF/c11.sgm

Created sequence                      /marconi_work/IscrC_0DPom/FF/c11.seq

A SEGMENT FILE COULD NOT BE FOUND FOR spce

**********
* 0: pre_dimens failed 9999
**********
[0] Received an Error in Communication: (9999) 0::


The same input does not give me this error on the workstations of my laboratory.
I also created the .nwchemrc file containing the force fields libraries in $HOME of my Marconi account.

Can anyone tell me why on the Cineca I get this error?

Thanks in advance!

M.morrone

Just Got Here
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Hello Morrone,

Were you able to resolve the problem that you have indicated above? I am also having the same issue. Any help on the matter will be greatly appreciated!

Pubudu.


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