76
General Questions and Answers / Re: transmission spectrum
« on: April 8, 2009, 10:06 »
Hi,Nordland! Have you checked out the problem for me? why the value of results is so small?
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77
Installation and License Questions / Re: How to solve this problem?
« on: March 21, 2009, 03:15 »
Now the question is like that:
[guojing@localhost ~]$ vnl
QT 3.3.8
numarray 1.3.3
Python 2.4.3
VTK 5.1
Scientific No version information found
Numeric 23.8
scipy 0.5.2
matplotlib 0.90.0
numpy 1.0.1
scipy.optimize ('Not available', 'libg2c.so.0: cannot open shared object file: No such file or directory')
[guojing@localhost ~]$
[guojing@localhost vnl]$ su
Password:
[root@localhost vnl]# rpm --install libg2c33-32bit-3.3.3-7.3.x86_64.rpm
warning: libg2c33-32bit-3.3.3-7.3.x86_64.rpm: Header V3 DSA signature: NOKEY, key ID 6300dadb
error: Failed dependencies:
rpmlib(PayloadIsLzma) <= 4.4.2-1 is needed by libg2c33-32bit-3.3.3-7.3.x86_64
[root@localhost vnl]#
the linux system is centos5
How to solve this?
thanks!
[guojing@localhost ~]$ vnl
QT 3.3.8
numarray 1.3.3
Python 2.4.3
VTK 5.1
Scientific No version information found
Numeric 23.8
scipy 0.5.2
matplotlib 0.90.0
numpy 1.0.1
scipy.optimize ('Not available', 'libg2c.so.0: cannot open shared object file: No such file or directory')
[guojing@localhost ~]$
[guojing@localhost vnl]$ su
Password:
[root@localhost vnl]# rpm --install libg2c33-32bit-3.3.3-7.3.x86_64.rpm
warning: libg2c33-32bit-3.3.3-7.3.x86_64.rpm: Header V3 DSA signature: NOKEY, key ID 6300dadb
error: Failed dependencies:
rpmlib(PayloadIsLzma) <= 4.4.2-1 is needed by libg2c33-32bit-3.3.3-7.3.x86_64
[root@localhost vnl]#
the linux system is centos5
How to solve this?
thanks!
78
Installation and License Questions / Re: How to solve this problem?
« on: March 20, 2009, 15:37 »
It is still the same !
[guojing@localhost ~]$ vnl
QT ('Not available', 'libGLU.so.1: cannot open shared object file: No such file or directory')
numarray 1.3.3
Python 2.4.3
VTK 5.1
Scientific No version information found
Numeric 23.8
scipy 0.5.2
matplotlib 0.90.0
numpy 1.0.1
scipy.optimize ('Not available', 'libg2c.so.0: cannot open shared object file: No such file or directory')
[guojing@localhost ~]$
[guojing@localhost ~]$ vnl
QT ('Not available', 'libGLU.so.1: cannot open shared object file: No such file or directory')
numarray 1.3.3
Python 2.4.3
VTK 5.1
Scientific No version information found
Numeric 23.8
scipy 0.5.2
matplotlib 0.90.0
numpy 1.0.1
scipy.optimize ('Not available', 'libg2c.so.0: cannot open shared object file: No such file or directory')
[guojing@localhost ~]$
79
Installation and License Questions / Re: How to solve this problem?
« on: March 20, 2009, 15:06 »I have run it in the root, but the question is still.
[guojing@localhost ~]$ su
Password:
[root@localhost guojing]# ln -s /usr/lib/libGLU.so.1 /usr/lib/libGLU.so
ln: creating symbolic link `/usr/lib/libGLU.so' to `/usr/lib/libGLU.so.1': File exists
[root@localhost guojing]#
WHAT IS THE MATTER?
Who can help me to solve this problem?
please give me the answer in detail.
Thanks!
80
Installation and License Questions / Re: How to solve this problem?
« on: March 20, 2009, 14:35 »
I have run it in the root, but the question is still.
[guojing@localhost ~]$ su
Password:
[root@localhost guojing]# ln -s /usr/lib/libGLU.so.1 /usr/lib/libGLU.so
ln: creating symbolic link `/usr/lib/libGLU.so' to `/usr/lib/libGLU.so.1': File exists
[root@localhost guojing]#
WHAT IS THE MATTER?
[guojing@localhost ~]$ su
Password:
[root@localhost guojing]# ln -s /usr/lib/libGLU.so.1 /usr/lib/libGLU.so
ln: creating symbolic link `/usr/lib/libGLU.so' to `/usr/lib/libGLU.so.1': File exists
[root@localhost guojing]#
WHAT IS THE MATTER?
81
Installation and License Questions / Re: How to solve this problem?
« on: March 20, 2009, 13:40 »
ｈｉ，ｉｔ ｎｏｔ ｗｏｒｋｓ！Ｉ ｃａｎ ｎｏｔ ｓｏｌｖｅ ｔｈｉｓ ｐｒｏｂｌｅｍ． ｐｌｅａｓｅ ｇｉｖｅ ｍｅ ｓｏｍｅ ａｄｖｉｓｅ ｉｎ ｄｅｔａｉｌ？ ｔｈａｎｋｓ！
[guojing@localhost vnl]$ rpm --install mesa-libGLU-6.5.1-7.5.el5.x86_64.rpm
warning: mesa-libGLU-6.5.1-7.5.el5.x86_64.rpm: Header V3 DSA signature: NOKEY, key ID e8562897
error: can't create transaction lock on /var/lib/rpm/__db.000
[guojing@localhost vnl]$ ln -s /usr/lib/libGLU.so.1 /usr/lib/libGLU.so
ln: creating symbolic link `/usr/lib/libGLU.so' to `/usr/lib/libGLU.so.1': Permission denied
[guojing@localhost vnl]$
[guojing@localhost vnl]$ rpm --install mesa-libGLU-6.5.1-7.5.el5.x86_64.rpm
warning: mesa-libGLU-6.5.1-7.5.el5.x86_64.rpm: Header V3 DSA signature: NOKEY, key ID e8562897
error: can't create transaction lock on /var/lib/rpm/__db.000
[guojing@localhost vnl]$ ln -s /usr/lib/libGLU.so.1 /usr/lib/libGLU.so
ln: creating symbolic link `/usr/lib/libGLU.so' to `/usr/lib/libGLU.so.1': Permission denied
[guojing@localhost vnl]$
82
Installation and License Questions / libGLU.so.1: cannot open shared object file: No such file or directory
« on: March 20, 2009, 05:39 »
Hi, everyone! I have a problem when install version 2008.10 in LINUX system.
[guojing@localhost ~]$ vnl
QT ('Not available', 'libGLU.so.1: cannot open shared object file: No such file or directory')
numarray 1.3.3
Python 2.4.3
VTK 5.1
Scientific No version information found
Numeric 23.8
scipy 0.5.2
matplotlib 0.90.0
numpy 1.0.1
scipy.optimize ('Not available', 'libg2c.so.0: cannot open shared object file: No such file or directory')
[guojing@localhost ~]$
how to solve this problem ?
Thanks!!
[guojing@localhost ~]$ vnl
QT ('Not available', 'libGLU.so.1: cannot open shared object file: No such file or directory')
numarray 1.3.3
Python 2.4.3
VTK 5.1
Scientific No version information found
Numeric 23.8
scipy 0.5.2
matplotlib 0.90.0
numpy 1.0.1
scipy.optimize ('Not available', 'libg2c.so.0: cannot open shared object file: No such file or directory')
[guojing@localhost ~]$
how to solve this problem ?
Thanks!!
83
General Questions and Answers / Re: Import other file formats in VNL?
« on: March 19, 2009, 12:12 »
Thank you, Anders Blom!!!
84
General Questions and Answers / some questions
« on: March 19, 2009, 10:25 »
Hi, I have read this topic, but I can not import any file?
Now, I have a pre-optimised model by demol3. I want to put it in the atomic manipulator, as a input structure in a two probe model. what should I do? can anyone give me the methods in details.
In the past, I export the model, and obtain the atomic cordinate, and use insert atomic in the atomic manipulator.
thanks!
Now, I have a pre-optimised model by demol3. I want to put it in the atomic manipulator, as a input structure in a two probe model. what should I do? can anyone give me the methods in details.
In the past, I export the model, and obtain the atomic cordinate, and use insert atomic in the atomic manipulator.
thanks!
85
General Questions and Answers / what is the matter?
« on: March 13, 2009, 14:10 »
hi,everyone! I have performed a DOS for a two probe system with 500 points from -12 to +12.
but from -12 to 0, the results are negative, from 0 to +12, the results are positive, what is the matter?
thanks!
-12.00 -0.0210
-11.95 -0.0209
-11.90 -0.0209
-11.86 -0.0209
-11.81 -0.0209
-11.76 -0.0209
-11.71 -0.0209
-11.66 -0.0208
-11.62 -0.0210
-11.57 -0.0212
-11.52 -0.0213
-11.47 -0.0214
//////////////////// -10.85 -0.0215
-10.80 -0.0214
-10.75 -0.0214
-10.70 -0.0214
-10.65 -0.0214
-10.61 -0.0214
-10.56 -0.0213
-10.51 -0.0213
-10.46 -0.0213
-10.41 -0.0213
-10.36 -0.0212
-10.32 -0.0212
-10.27 -0.0212
-10.22 -0.0211
-10.17 -0.0211
-10.12 -0.0211
-10.08 -0.0211
/////////////////////
-8.06 -0.0195
-8.01 -0.0194
-7.96 -0.0194
-7.91 -0.0193
-7.86 -0.0193
/////////////////////
-7.05 -0.0190
-7.00 -0.0190
-6.95 -0.0190
-6.90 -0.0190
-6.85 -0.0190
-6.81 -0.0190
-6.76 -0.0190
-6.71 -0.0190
////////////////// -2.96 -0.0152
-2.91 -0.0146
-2.86 -0.0138
-2.81 -0.0140
-2.77 -0.0138
-2.72 -0.0138
-2.67 -0.0138
-2.62 -0.0137
-2.57 -0.0140
-2.53 -0.0143
-2.48 -0.0144
-2.43 -0.0143
-2.38 -0.0142
-2.33 -0.0141
-2.28 -0.0155
-2.24 -0.0157
-2.19 -0.0167
-2.14 -0.0169
-2.09 -0.0142
////////////////// -0.46 -0.0239
-0.41 -0.0280
-0.36 -0.0115
-0.31 -0.0100
-0.26 -0.0082
-0.22 -0.0071
-0.17 -0.0073
-0.12 -0.0052
-0.07 -0.0048
-0.02 -0.0033
0.02 0.0043
0.07 0.0016
0.12 0.0017
0.17 0.0032
0.22 0.0025
0.26 0.0018
0.31 0.0044
0.36 0.0047
0.41 0.0036
0.46 0.0040
0.51 0.0052
0.55 0.0046
0.60 0.0058
///////////////// 3.54 0.0127
3.58 0.0132
3.63 0.0143
3.68 0.0202
3.73 0.0330
3.78 0.0354
3.82 0.0241
3.87 0.0268
3.92 0.0526
3.97 0.0535
4.02 0.0304
4.06 0.0297
4.11 0.0276
4.16 0.0276
4.21 0.0256
4.26 0.0552
4.30 0.0322
4.35 0.0296
4.40 0.0327
4.45 -0.0032
///////////////// 8.34 0.1063
8.39 0.0960
8.44 0.1061
8.49 0.1050
8.54 0.1174
8.59 0.1111
8.63 0.1495
8.68 0.2925
8.73 0.1166
8.78 0.0732
8.83 0.1088
8.87 0.1117
8.92 0.1210
8.97 0.1332
9.02 0.1438
9.07 0.1543
9.11 0.1745
9.16 0.1896
9.21 0.1939
9.26 0.1669
//////////// 11.18 0.2532
11.23 0.1983
11.28 0.1649
11.33 0.1567
11.37 0.1243
11.42 0.1301
11.47 0.1706
11.52 0.2124
11.57 0.2209
11.62 0.2111
11.66 0.3914
11.71 0.6602
11.76 0.4477
11.81 0.2675
11.86 0.1946
11.90 0.1630
11.95 -0.0972
12.00 0.1477
but from -12 to 0, the results are negative, from 0 to +12, the results are positive, what is the matter?
thanks!
-12.00 -0.0210
-11.95 -0.0209
-11.90 -0.0209
-11.86 -0.0209
-11.81 -0.0209
-11.76 -0.0209
-11.71 -0.0209
-11.66 -0.0208
-11.62 -0.0210
-11.57 -0.0212
-11.52 -0.0213
-11.47 -0.0214
//////////////////// -10.85 -0.0215
-10.80 -0.0214
-10.75 -0.0214
-10.70 -0.0214
-10.65 -0.0214
-10.61 -0.0214
-10.56 -0.0213
-10.51 -0.0213
-10.46 -0.0213
-10.41 -0.0213
-10.36 -0.0212
-10.32 -0.0212
-10.27 -0.0212
-10.22 -0.0211
-10.17 -0.0211
-10.12 -0.0211
-10.08 -0.0211
/////////////////////
-8.06 -0.0195
-8.01 -0.0194
-7.96 -0.0194
-7.91 -0.0193
-7.86 -0.0193
/////////////////////
-7.05 -0.0190
-7.00 -0.0190
-6.95 -0.0190
-6.90 -0.0190
-6.85 -0.0190
-6.81 -0.0190
-6.76 -0.0190
-6.71 -0.0190
////////////////// -2.96 -0.0152
-2.91 -0.0146
-2.86 -0.0138
-2.81 -0.0140
-2.77 -0.0138
-2.72 -0.0138
-2.67 -0.0138
-2.62 -0.0137
-2.57 -0.0140
-2.53 -0.0143
-2.48 -0.0144
-2.43 -0.0143
-2.38 -0.0142
-2.33 -0.0141
-2.28 -0.0155
-2.24 -0.0157
-2.19 -0.0167
-2.14 -0.0169
-2.09 -0.0142
////////////////// -0.46 -0.0239
-0.41 -0.0280
-0.36 -0.0115
-0.31 -0.0100
-0.26 -0.0082
-0.22 -0.0071
-0.17 -0.0073
-0.12 -0.0052
-0.07 -0.0048
-0.02 -0.0033
0.02 0.0043
0.07 0.0016
0.12 0.0017
0.17 0.0032
0.22 0.0025
0.26 0.0018
0.31 0.0044
0.36 0.0047
0.41 0.0036
0.46 0.0040
0.51 0.0052
0.55 0.0046
0.60 0.0058
///////////////// 3.54 0.0127
3.58 0.0132
3.63 0.0143
3.68 0.0202
3.73 0.0330
3.78 0.0354
3.82 0.0241
3.87 0.0268
3.92 0.0526
3.97 0.0535
4.02 0.0304
4.06 0.0297
4.11 0.0276
4.16 0.0276
4.21 0.0256
4.26 0.0552
4.30 0.0322
4.35 0.0296
4.40 0.0327
4.45 -0.0032
///////////////// 8.34 0.1063
8.39 0.0960
8.44 0.1061
8.49 0.1050
8.54 0.1174
8.59 0.1111
8.63 0.1495
8.68 0.2925
8.73 0.1166
8.78 0.0732
8.83 0.1088
8.87 0.1117
8.92 0.1210
8.97 0.1332
9.02 0.1438
9.07 0.1543
9.11 0.1745
9.16 0.1896
9.21 0.1939
9.26 0.1669
//////////// 11.18 0.2532
11.23 0.1983
11.28 0.1649
11.33 0.1567
11.37 0.1243
11.42 0.1301
11.47 0.1706
11.52 0.2124
11.57 0.2209
11.62 0.2111
11.66 0.3914
11.71 0.6602
11.76 0.4477
11.81 0.2675
11.86 0.1946
11.90 0.1630
11.95 -0.0972
12.00 0.1477
86
General Questions and Answers / how to control another computer?
« on: March 13, 2009, 07:47 »
Hi, everyone! I want to know how to perform calculations in another computer?
For example, I have two computer, if I want to let that computer perform the calculations, but I want to manipulate it in my computer, What should I do in order to carry out it?
Thanks!
For example, I have two computer, if I want to let that computer perform the calculations, but I want to manipulate it in my computer, What should I do in order to carry out it?
Thanks!
87
General Questions and Answers / Re: How to continue a calculation?
« on: March 12, 2009, 12:17 »
Hi, Nordland! I have found the file,and I want to know
where the quote should be place in order to re-continue a crashed calculation.
Please give me some details.
please change the file and quote in the attached script.
Thanks!
where the quote should be place in order to re-continue a crashed calculation.
Please give me some details.
please change the file and quote in the attached script.
Thanks!
88
General Questions and Answers / Re: How to continue a calculation?
« on: March 11, 2009, 14:35 »
Hi,Nordland! To be honest, I can not understand what you have said accurately.
"Take a backup of the crashed netcdf file of the calculation and call it crash.nc"
can you give me more details? I didn't find any netcdf file in my computer.
"crashed_scf = restoreSelfConsistentCalculation('crash.nc')
new_scf = executeSelfConsistentCalculation(self_consistent_calculation=crashed_scf)"
where the quote should be place in order to re-continue a crashed calculation.
Thank you !
"Take a backup of the crashed netcdf file of the calculation and call it crash.nc"
can you give me more details? I didn't find any netcdf file in my computer.
"crashed_scf = restoreSelfConsistentCalculation('crash.nc')
new_scf = executeSelfConsistentCalculation(self_consistent_calculation=crashed_scf)"
where the quote should be place in order to re-continue a crashed calculation.
Thank you !
89
General Questions and Answers / How to continue a calculation?
« on: March 11, 2009, 11:02 »
Hi, everyone!
I want to know if the calculation be stopped when the calculation has not finished, can I continue the calculation?
Last time, I have spend two days to calculation a curves, but power failure when the calculation has not finished. It means I waster a lot of time.
Can anyone tell me how to continue a calculation being stopped un-finished?
Thanks!!
I want to know if the calculation be stopped when the calculation has not finished, can I continue the calculation?
Last time, I have spend two days to calculation a curves, but power failure when the calculation has not finished. It means I waster a lot of time.
Can anyone tell me how to continue a calculation being stopped un-finished?
Thanks!!
90
General Questions and Answers / Re: transmission spectrum
« on: March 7, 2009, 15:13 »
you can down load it in this topic "the transimission spectrum in a two probe system ",
the model is the same in the topic.
perhaps, you have already download it before.
liznoliclusterwur48(12.76).py (17.93 KB - downloaded 8 times.)
thanks.
I have to go to my dorminary. see you!
the model is the same in the topic.
perhaps, you have already download it before.
liznoliclusterwur48(12.76).py (17.93 KB - downloaded 8 times.)
thanks.
I have to go to my dorminary. see you!