[Wien] Problem with optic parallel calculation

[Peter Blaha]

Did you forget to run   x lapw2 -fermi -p -dn ???

Am 16.09.2014 05:18, schrieb bruce.tian:
> Dear all:
>
> I am trying to calculate the optic properties of fcc Ni in k-point
> parallel mode. First I calculate with spin up. It is strnage each time I
> must run "x optic -up -p" twice and then "x joint -up" (without -p) can
> work. But when the spin down is selected "x joint -dn" joint error is
> always reported. I checked the case.symmat* files and found only
> case.symmatup is not empty while all other case.symmat_xup(dn) and
> case.symmat1(2)up(dn) files are empty. What is the problem? The
> opticpara_lapw file is susbstitiuted by the recommended modified file by
> Prof. Blaha. Thanks!
>
>
> The results of "x optic -dn -p" are shown as following:
>
> running OPTIC in parallel mode
> [1] 18546
> [2] 18663
>   OPTIC END
>
> real    0m0.333s
> user    0m0.076s
> sys     0m0.072s
> [1]  - Done                          ( $remote $machine[$p]  ...
> [3] 18695
>   OPTIC END
>
> real    0m0.203s
> user    0m0.120s
> sys     0m0.048s
> [2]  - Done                          ( $remote $machine[$p]  ...
> [4] 18757
>   OPTIC END
>
> real    0m0.225s
> user    0m0.096s
> sys     0m0.076s
> [3]  - Done                          ( $remote $machine[$p]  ...
> [5] 18908
>   OPTIC END
>
> real    0m0.223s
> user    0m0.112s
> sys     0m0.052s
> [4]  - Done                          ( $remote $machine[$p]  ...
> [6] 18942
>   OPTIC END
>
> real    0m0.219s
> user    0m0.108s
> sys     0m0.068s
> [5]  - Done                          ( $remote $machine[$p]  ...
> [7] 19034
>   OPTIC END
>
> real    0m0.220s
> user    0m0.112s
> sys     0m0.068s
> [6]  - Done                          ( $remote $machine[$p]  ...
> [8] 19280
>   OPTIC END
>
> real    0m0.344s
> user    0m0.128s
> sys     0m0.056s
> [7]  - Done                          ( $remote $machine[$p]  ...
>   OPTIC END
>
> real    0m0.249s
> user    0m0.104s
> sys     0m0.068s
> [8]    Done                          ( $remote $machine[$p]  ...
>     Summary of opticpara:
>     a141  user=0  wallclock=82392
> cat: fccni.mommat_1dn: No such file or directory
> rm: cannot remove `fccni.mommat_1dn': No such file or directory
> tail: cannot open `fccni.mommat_2dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_2dn': No such file or directory
> tail: cannot open `fccni.mommat_3dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_3dn': No such file or directory
> tail: cannot open `fccni.mommat_4dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_4dn': No such file or directory
> tail: cannot open `fccni.mommat_5dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_5dn': No such file or directory
> tail: cannot open `fccni.mommat_6dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_6dn': No such file or directory
> tail: cannot open `fccni.mommat_7dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_7dn': No such file or directory
> tail: cannot open `fccni.mommat_8dn' for reading: No such file or directory
> rm: cannot remove `fccni.mommat_8dn': No such file or directory
> 0.316u 0.744s 0:10.34 10.1%     0+0k 0+3176io 0pf+0w
>
>
>
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671