Dear Peter Blaha and wien users,<br> I am facing problems in running the spin-orbit coupling in parallel mode while trying to calculate the band structure.<br>Initially I could successfully run the scf cycles and able to calculate DOS. But when I run the program of band structure by invoking the command x lapwso -orb -c -up -p and x lapwso -orb -c -dn -p after x lapw1 -band -orb -c -up -p and x lapw1 -band -orb -c -dn -p, I observe an error as sorted below:<br>
<br>[1] 10753<br>[2] 10760<br>[3] 10768<br>[4] 10776<br>[5] 10783<br>[6] 10790<br>[7] 10797<br>[8] 10804<br>[9] 10811<br>[10] 10818<br>[11] 10825<br>[12] 10832<br>[13] 10839<br>[14] 10846<br>[15] 10853<br>[16] 10860<br>[17] 10867<br>
[18] 10874<br>[19] 10881<br>[20] 10888<br>[21] 10895<br>[22] 10903<br>[23] 10912<br>[24] 10920<br>[25] 10929<br>[26] 10936<br>[27] 10944<br>[28] 10951<br>[29] 10958<br>[30] 10965<br>[31] 10972<br>[32] 10979<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>
[1] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>[2] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
ssh: connect to host r4i1n3 port 22: Connection timed out<br>[3] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>
[4] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[1] 11590<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>[5] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[2] 11600<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>[6] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[3] 11610<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>
[7] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[4] 11620<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>[8] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[5] 11630<br>ssh: connect to host r4i1n14 port 22: Connection timed out<br>[9] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>ssh: connect to host r4i1n14 port 22: Connection timed out<br>
ssh: connect to host r4i1n14 port 22: Connection timed out<br>ssh: connect to host r4i1n14 port 22: Connection timed out<br>ssh: connect to host r4i1n14 port 22: Connection timed out<br>ssh: connect to host r4i1n14 port 22: Connection timed out<br>
ssh: connect to host r4i1n14 port 22: Connection timed out<br>ssh: connect to host r4i1n14 port 22: Connection timed out<br>ssh: connect to host r4i3n4 port 22: Connection timed out<br>ssh: connect to host r4i3n4 port 22: Connection timed out<br>
ssh: connect to host r4i3n4 port 22: Connection timed out<br>ssh: connect to host r4i3n4 port 22: Connection timed out<br>ssh: connect to host r4i3n4 port 22: Connection timed out<br>ssh: connect to host r4i3n4 port 22: Connection timed out<br>
ssh: connect to host r4i3n4 port 22: Connection timed out<br>ssh: connect to host r4i3n4 port 22: Connection timed out<br>ssh: connect to host r4i3n11 port 22: Connection timed out<br>ssh: connect to host r4i3n11 port 22: Connection timed out<br>
ssh: connect to host r4i3n11 port 22: Connection timed out<br>ssh: connect to host r4i3n11 port 22: Connection timed out<br>ssh: connect to host r4i3n11 port 22: Connection timed out<br>ssh: connect to host r4i3n11 port 22: Connection timed out<br>
ssh: connect to host r4i3n11 port 22: Connection timed out<br>ssh: connect to host r4i3n11 port 22: Connection timed out<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>
ssh: connect to host r4i1n3 port 22: Connection timed out<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>ssh: connect to host r4i1n3 port 22: Connection timed out<br>[5] Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[4] - Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[3] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[2] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[1] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[32] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[31] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[30] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[29] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[28] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[27] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[26] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[25] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[24] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[23] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[22] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[21] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[20] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[19] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[18] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[17] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[16] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[15] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[14] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[13] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[12] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>[11] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>
[10] + Done ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f ...<br>** LAPWSO crashed!<br>0.480u 1.000s 6:27.48 0.3% 0+0k 0+0io 3pf+0w<br>error: command /home/ghimire123/WIEN2k_11/lapwsopara -up -c lapwso.def failed<br clear="all">
Hope some users also faced this type of error while handling parallel mode computation. Please have a look at it.<br>In the meantime, I am <br>Thank you in advance <br>Best wishes<br><br>-- <br>M. P. Ghimire<br><br>