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<b>Dear wien users,<br><br>
Could somebody help me on .machine file? <br><br>
We have just combined the Wien2k for MPI. We tested this with TiC
<br>
<br>
Our system information is : <br>
Dual processors AMD 64 Opteron<br>
OS: Fedora Core 1 x86_64<br>
Host name: Darwin<br>
Nodes: Opto0xx ; per node has 2 CPU with the same speed<br><br>
The Wien2k Version is 25/02/2005<br><br>
We have files: lapw1para, lapwsopara, lapwdmpara, lapw2para, lapw0_mpi,
lapw1_mpi, and Lapw2_mpi<br><br>
For TiC, We tested with 72- k-points<br><br>
our machines file is<br><br>
</b><i>granularity:1<br>
18:opto024:2<br>
18:opto025:2<br>
36:opto030:2<br>
lapw0:opto024 opto025<br><br>
</i><b>By using paratest we obtained:<br><br>
</b><pre>Test: LAPW1 in parallel mode (using .machines)
Granularity set to 1
Extrafine unset
klist: 72
machines: opto024 opto025 opto030
procs: 3
weigh(old): 18 18 36
sumw: 72
granularity: 1
weigh(new): 18 18 36
Distribution of k-point (under ideal conditions)
will be:
1 : opto024(18) 18k
2 : opto025(18) 18k
3 : opto030(36) 36k
</i></pre> <b>By using this machine file when we ran SCF
calculations we met the following error:<br><br>
</b><pre>cycle 1
<x-tab> </x-tab>(Wed
Apr 6 17:34:32 SGT 2005) <x-tab> </x-tab>(20/20 to go)
> lapw0
-p<x-tab> </x-tab>(17:34:32) starting parallel
lapw0 at Wed Apr 6 17:34:32 SGT 2005
-------- .machine1 : 2 processors
opto024
opto025
--------
0.020u 0.010s 0:00.06
50.0%<x-tab> </x-tab>0+0k 0+0io 2588pf+0w
> stop error
</pre>When I check STDOUT: I found<br><br>
<pre>1[1]: No match.
</i></pre><font face="Courier New, Courier">I checked files and I saw the
following files were not generated: case.vsp, case.vns, and
<i>empty files</i> case.clmup/dn<br><br>
But when I use the following .machine file<br><br>
</font>granularity:1<br>
18:opto024:2<br>
18:opto025:2<br>
36:opto030:2<br><br>
<font face="Courier New, Courier">LAPW0 ran well, but LAWP1
crashed.<br><br>
The show dayfile is<br><br>
</font><pre> cycle 1
<x-tab> </x-tab>(Wed Apr 6 18:05:39 SGT 2005)
<x-tab> </x-tab>(20/20 to go)
> lapw0
-p<x-tab> </x-tab>(18:05:39) starting parallel
lapw0 at Wed Apr 6 18:05:39 SGT 2005
--------
running lapw0 in single mode
1.960u 0.030s 0:02.13
93.4%<x-tab> </x-tab>0+0k 0+0io 2502pf+0w
> lapw1 -p <x-tab> </x-tab>(18:05:41)
starting parallel lapw1 at Wed Apr 6 18:05:41 SGT 2005
-> starting parallel LAPW1 jobs at Wed Apr 6 18:05:41 SGT
2005
running LAPW1 in parallel mode (using .machines)
3 number_of_parallel_jobs
** LAPW1 crashed!
0.030u 0.040s 0:05.34
1.3%<x-tab> </x-tab>0+0k 0+0io
14149pf+0w
> stop error
</i></pre><font face="Courier New, Courier">STDOUT<br><br>
</font><pre>STOP LAPW0 END
STOP
bash: line 1: lapw1: command not found
real<x-tab> </x-tab>0m0.003s
user<x-tab> </x-tab>0m0.000s
sys<x-tab> </x-tab>0m0.000s
bash: line 1: lapw1: command not found
real<x-tab> </x-tab>0m0.002s
user<x-tab> </x-tab>0m0.000s
sys<x-tab> </x-tab>0m0.000s
bash: lapw1: command not found
real<x-tab> </x-tab>0m0.002s
user<x-tab> </x-tab>0m0.000s
sys<x-tab> </x-tab>0m0.001s
cat: No match.
</i></pre><font face="Courier New, Courier"><b>We really do not
understand the reason for these errors. But we notice that if we run in
remote mode, i.e., we use the machine file for host Darwin<br><br>
</b>granularity:1<br>
18:darwin<br>
18:darwin<br>
36:darwin<br><br>
</font><b>then everything was ok. <br><br>
Could someone help us to clarify these errors and how to overcome this?
Many thanks.<br><br>
Best regards,<br>
Khuong<br>
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