Dear Prof. Paolo,<br> <br>Thanks a lot for your reply. <br><br>> which QE code and which files are you referring to? < <br><div class="gmail_quote"><br>That is phonon code (ph.x) and the files I mentioned before are given below in detail. <br>
<br>With the earlier versions up to 4.1.3, phonon code runs fine and I got following files <br>(bold and underlined items are folders) in the tmp directory of a local disk. <br>The nodes which are used by the codes are node186, 036, 139. <br>
<br> node186:/tmpscratch/sksct8/tmp$ ls<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><b><u>pbmno.save</u></b> _phpbmno.com1 _phpbmno.dwf2 _phpbmno.igk3 _phpbmno.prd3<br>
pbmno.wfc1 _phpbmno.com2 _phpbmno.dwf3 _phpbmno.mixd1 _phpbmno.recover<br>pbmno.wfc2 _phpbmno.com3 _phpbmno.ebar1 _phpbmno.mixd2 _phpbmno.recover2<br>pbmno.wfc3 _phpbmno.dvkb31 _phpbmno.ebar2 _phpbmno.mixd3 _phpbmno.recover3<br>
_phpbmno.bar1 _phpbmno.dvkb32 _phpbmno.ebar3 <u><b>_phpbmno.phsave</b></u><i><b> </b></i> <b><u>_phpbmno.save</u></b><br>_phpbmno.bar2 _phpbmno.dvkb33 _phpbmno.igk _phpbmno.prd1<br>_phpbmno.bar3 _phpbmno.dwf1 _phpbmno.igk2 _phpbmno.prd2 <br>
</blockquote><br>node036:/tmpscratch/sksct8/tmp$ ls<br>pbmno.wfc4 _phpbmno.dwf4 _phpbmno.mixd4 _phpbmno.recover4<br>pbmno.wfc5 _phpbmno.dwf5 _phpbmno.mixd5 _phpbmno.recover5<br>_phpbmno.bar4 _phpbmno.igk4 _phpbmno.prd4 _phpbmno.wfc4<br>
_phpbmno.bar5 _phpbmno.igk5 _phpbmno.prd5 _phpbmno.wfc5<br><br>node139:/tmpscratch/sksct8/tmp$ ls<br>pbmno.wfc6 _phpbmno.bar8 _phpbmno.igk7 _phpbmno.recover6 _phpbmno.wfc8<br>pbmno.wfc7 _phpbmno.dwf6 _phpbmno.igk8 _phpbmno.recover7<br>
pbmno.wfc8 _phpbmno.dwf7 _phpbmno.prd6 _phpbmno.recover8<br>_phpbmno.bar6 _phpbmno.dwf8 _phpbmno.prd7 _phpbmno.wfc6<br>_phpbmno.bar7 _phpbmno.igk6 _phpbmno.prd8 _phpbmno.wfc7<br><br></div>However, with the new version 4.3.1, for the exactly same input files and job scripts I only get these files and nothing else : <br>
<br>node045:/tmpscratch/sksct84/tmp$ ls<br><b><u>pbmno.save</u></b> pbmno.wfc1 <b><u>_ph0</u></b><br><br>node111:/tmpscratch/sksct84/tmp$ ls<br>pbmno.wfc2 pbmno.wfc3<br><br>node092:/tmpscratch/sksct84/tmp$ ls<br>pbmno.wfc4 pbmno.wfc5<br>
<br>node080:/tmpscratch/sksct84/tmp$ ls<br>pbmno.wfc6 pbmno.wfc7<br><br>node072:/tmpscratch/sksct84/tmp$ ls<br>pbmno.wfc8<br><br>Note that, the used nodes in this time are node045, node111, node092, node080, node072. <br>
<br>So it is clear from the above example that somehow in the new version 4.3.1, _phpbmno.save and <br>_phpbmno.phsave goes inside the directory "_ph0" ; <br><br>And the same phonon calculation, which was running fine with the earlier version, now stops like this way (a bit <br>
abruptly and rudely, with out much informations or error messages) : <br><br><br> Electric field:<br> Dielectric constant<br> Born effective charges in two ways <br><br><br> Atomic displacements:<br> There are 5 irreducible representations<br>
<br> Representation 1 3 modes -T_1u G_15 G_4- To be done<br><br> Representation 2 3 modes -T_1u G_15 G_4- To be done<br><br> Representation 3 3 modes -T_1u G_15 G_4- To be done<br>
<br> Representation 4 3 modes -T_1u G_15 G_4- To be done<br><br> Representation 5 3 modes -T_2u G_25 G_5- To be done<br><br><br><br>simply with this error :<br>--------------------------------------------------------------------------<br>
MPI_ABORT was invoked on rank 2 in communicator MPI_COMM_WORLD <br>with errorcode 0.<br><br>NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.<br>You may or may not see output from other processes, depending on<br>
exactly when Open MPI kills them.<br>--------------------------------------------------------------------------<br>--------------------------------------------------------------------------<br>mpirun has exited due to process rank 2 with PID 8791 on<br>
node node111.cvos.cluster exiting without calling "finalize". This may<br>have caused other processes in the application to be<br>terminated by signals sent by mpirun (as reported here).<br>--------------------------------------------------------------------------<br>
[node045:11580] 6 more processes have sent help message help-mpi-api.txt / mpi-abort<br>[node045:11580] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages<br><br><br>Hope this email explains much better. <br>
<br>Thanks and Regards, <br>Saha SK<br>