Instructions for
SIESTA exercises for the users without
workstation access
If you are working on a workstation, follow
instruction at SIESTA
Log on mccbw1 (for user sstu-12) using ssh
-
ssh -X
sstu-12@mccbw1.mcc.uiuc.edu
tar -zxvf
/home/mcc/siesta.tgz
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Check what you have in your home directory:
[jnkim@mccbw1]$ ls -l
total 52
drwxr-x--- 7 jnkim jnkim 4096 Jun 16 21:39 SIESTA
-rw-r----- 1 jnkim jnkim 460 Jun 16 21:31 siesta.10.sh
-rw-r----- 1 jnkim jnkim 459 Jun 16 21:31 siesta.11.sh
-rw-r----- 1 jnkim jnkim 471 Jun 16 21:31 siesta.12.sh
-rwxr-x--- 1 jnkim jnkim 464 Jun 16 21:39 siesta.1.sh
-rwxr-x--- 1 jnkim jnkim 452 Jun 16 21:38 siesta.2.sh
-rwxr-x--- 1 jnkim jnkim 472 Jun 16 21:39 siesta.3.sh
-rwxr-x--- 1 jnkim jnkim 474 Jun 16 21:38 siesta.4.sh
-rwxr-x--- 1 jnkim jnkim 474 Jun 16 21:49 siesta.5.sh
-rwxr-x--- 1 jnkim jnkim 466 Jun 16 21:49 siesta.6.sh
-rwxr-x--- 1 jnkim jnkim 478 Jun 16 21:31 siesta.7.sh
-rwxr-x--- 1 jnkim jnkim 456 Jun 16 21:31 siesta.8.sh
-rwxr-x--- 1 jnkim jnkim 456 Jun 16 21:31 siesta.9.sh
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Warning
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For Example-3/bulk-111 (siesta.6.sh), use
ehlnx#.ews.uiuc.edu to run. Unknown
compiler/kernel problems.
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Submit your batch script
-
Example-1
qsub
siesta.1.sh
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Example-3/surface-111
qsub
siesta.7.sh
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Example-4/3.3
qsub
siesta.8.sh
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Example-4/6.6
qsub
siesta.9.sh
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Example-4/12.0
qsub
siesta.10.sh
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Example-4/13.0
qsub
siesta.11.sh
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Example-4/graphene
qsub
siesta.12.sh