[Wien] Run Wien2k on Mac OS X Lion

2012-06-04 Thread Paul Fons
The HFS+ file system is historically case insensitive.  There is an option in 
Disk Utility to format a disk with a case sensitive file system (e.g. a 
traditional unix-like style).While this will not cause any problems for the 
operating system, it could in principle cause problems for other Mac software 
in that some developers may assume that case differences are indistinguishable, 
however, they will be distinguishable for the case sensitive system.

Best Wishes,
Paul Fons



On Jun 2, 2012, at 11:28 PM, Marcelo Barbosa wrote:

 Hi Gilles
 
 Sorry for such a late late response.
 
 How can i format the disk with case sensitive option? Mine doesn't seem to 
 be, because doing cd Desktop and cd desktop is exactly the same thing.
 
 As far as i know, Macs usually use .profile instead of .bashrc (at least the 
 later ones), however i created a .bashrc file and i call it from .profile.
 Can this complicate anything?
 
 Cheers,
 Marcelo
 
 On Apr 4, 2012, at 6:20 AM, Gilles Hug wrote:
 
 Dear Marcelo,
 I have Wien2k running on the Mac although I don't use it very often.
 I have not installed Lion.
 You should first check that the disk is formatted with case sensitive 
 (Unix-like) option.
 Then try the Wien2k programs and scripts from the Terminal.
 One problem maybe to find the runtime libraries which are located in a 
 different place compared to other Linux styles, i. e. you need to check that 
 the environment variables in the .bashrc are correct. This changes from 
 versions of OSX and Intel.
 Bon courage,
 Gllles
 
 Le 4 avr. 2012 ? 06:58, Peter Blaha a ?crit :
 
 I've no experience with Macs myself, but I know that some Mac-experts have 
 wien2k running on Macs.
 
 When you say, the scripts are not working, you may not have a   csh (or 
 tcsh).
 
 
 Am 03.04.2012 13:10, schrieb Marcelo Barbosa:
 Hello
 
 I'm currently using Wien2k on an Ubuntu machine and it's working fine, but 
 i would like to run it on Mac OS X 10.7 Lion.
 Is there anyone who could help me to compile and run Wien2k on a Mac OS X 
 machine?
 
 I have installed the Intel compilers for mac and the compilation runs 
 without any errors.
 I run w2web on terminal and it starts a session with no problem, but then 
 on the browser i'm only able to create the .struct file, none of the 
 scripts are working (including the RMT calculation when creating the 
 .struct file).
 
 Can anyone help me?
 
 Best regards,
 Marcelo Barbosa
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 -- 
 -
 Peter Blaha
 Inst. Materials Chemistry, TU Vienna
 Getreidemarkt 9, A-1060 Vienna, Austria
 Tel: +43-1-5880115671
 Fax: +43-1-5880115698
 email: pblaha at theochem.tuwien.ac.at
 -
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 ___
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 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

Dr. Paul Fons
Senior Research Scientist
Functional Nano-phase-change Research Team
Nanoelectronics Research Institute
National Institute for Advanced Industrial Science  Technology
METI

AIST Central 4, Higashi 1-1-1
Tsukuba, Ibaraki JAPAN 305-8568

tel. +81-298-61-5636
fax. +81-298-61-2939

email: paul-fons at aist.go.jp

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?305-8562 ? 1-1-1
?
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?






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[Wien] Run Wien2k on Mac OS X Lion

2012-06-02 Thread Marcelo Barbosa
Hi Gilles

Sorry for such a late late response.

How can i format the disk with case sensitive option? Mine doesn't seem to be, 
because doing cd Desktop and cd desktop is exactly the same thing.

As far as i know, Macs usually use .profile instead of .bashrc (at least the 
later ones), however i created a .bashrc file and i call it from .profile.
Can this complicate anything?

Cheers,
Marcelo

On Apr 4, 2012, at 6:20 AM, Gilles Hug wrote:

 Dear Marcelo,
 I have Wien2k running on the Mac although I don't use it very often.
 I have not installed Lion.
 You should first check that the disk is formatted with case sensitive 
 (Unix-like) option.
 Then try the Wien2k programs and scripts from the Terminal.
 One problem maybe to find the runtime libraries which are located in a 
 different place compared to other Linux styles, i. e. you need to check that 
 the environment variables in the .bashrc are correct. This changes from 
 versions of OSX and Intel.
 Bon courage,
 Gllles
 
 Le 4 avr. 2012 ? 06:58, Peter Blaha a ?crit :
 
 I've no experience with Macs myself, but I know that some Mac-experts have 
 wien2k running on Macs.
 
 When you say, the scripts are not working, you may not have a   csh (or 
 tcsh).
 
 
 Am 03.04.2012 13:10, schrieb Marcelo Barbosa:
 Hello
 
 I'm currently using Wien2k on an Ubuntu machine and it's working fine, but 
 i would like to run it on Mac OS X 10.7 Lion.
 Is there anyone who could help me to compile and run Wien2k on a Mac OS X 
 machine?
 
 I have installed the Intel compilers for mac and the compilation runs 
 without any errors.
 I run w2web on terminal and it starts a session with no problem, but then 
 on the browser i'm only able to create the .struct file, none of the 
 scripts are working (including the RMT calculation when creating the 
 .struct file).
 
 Can anyone help me?
 
 Best regards,
 Marcelo Barbosa
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 -- 
 -
 Peter Blaha
 Inst. Materials Chemistry, TU Vienna
 Getreidemarkt 9, A-1060 Vienna, Austria
 Tel: +43-1-5880115671
 Fax: +43-1-5880115698
 email: pblaha at theochem.tuwien.ac.at
 -
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien



[Wien] Run Wien2k on Mac OS X Lion

2012-06-02 Thread Gilles Hug
Hi Marcelo,
1 - backup everything, all data, files etc on your disk,
2 - restart the Mac from an external disk,
3 - use the Disk Utility in the /Applications/Tools folder
4 - erase the disk and format with the correct option (Unix + case sensitive).
I have not done it with Lion, I only own OS X 10.6.8. Maybe check on some Apple 
forum what people say for Lion.
My PowerMac has been formatted since 4-5 years, in fact I don't remember when. 
It has probably several millions of files and it is stable. I don't see any 
reason to change this operating system.
Regards
G.

Le 2 juin 2012 ? 16:28, Marcelo Barbosa a ?crit :

 Hi Gilles
 
 Sorry for such a late late response.
 
 How can i format the disk with case sensitive option? Mine doesn't seem to 
 be, because doing cd Desktop and cd desktop is exactly the same thing.
 
 As far as i know, Macs usually use .profile instead of .bashrc (at least the 
 later ones), however i created a .bashrc file and i call it from .profile.
 Can this complicate anything?
 
 Cheers,
 Marcelo
 
 On Apr 4, 2012, at 6:20 AM, Gilles Hug wrote:
 
 Dear Marcelo,
 I have Wien2k running on the Mac although I don't use it very often.
 I have not installed Lion.
 You should first check that the disk is formatted with case sensitive 
 (Unix-like) option.
 Then try the Wien2k programs and scripts from the Terminal.
 One problem maybe to find the runtime libraries which are located in a 
 different place compared to other Linux styles, i. e. you need to check that 
 the environment variables in the .bashrc are correct. This changes from 
 versions of OSX and Intel.
 Bon courage,
 Gllles
 
 Le 4 avr. 2012 ? 06:58, Peter Blaha a ?crit :
 
 I've no experience with Macs myself, but I know that some Mac-experts have 
 wien2k running on Macs.
 
 When you say, the scripts are not working, you may not have a   csh (or 
 tcsh).
 
 
 Am 03.04.2012 13:10, schrieb Marcelo Barbosa:
 Hello
 
 I'm currently using Wien2k on an Ubuntu machine and it's working fine, but 
 i would like to run it on Mac OS X 10.7 Lion.
 Is there anyone who could help me to compile and run Wien2k on a Mac OS X 
 machine?
 
 I have installed the Intel compilers for mac and the compilation runs 
 without any errors.
 I run w2web on terminal and it starts a session with no problem, but then 
 on the browser i'm only able to create the .struct file, none of the 
 scripts are working (including the RMT calculation when creating the 
 .struct file).
 
 Can anyone help me?
 
 Best regards,
 Marcelo Barbosa
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 -- 
 -
 Peter Blaha
 Inst. Materials Chemistry, TU Vienna
 Getreidemarkt 9, A-1060 Vienna, Austria
 Tel: +43-1-5880115671
 Fax: +43-1-5880115698
 email: pblaha at theochem.tuwien.ac.at
 -
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 



[Wien] Run Wien2k on Mac OS X Lion

2012-04-04 Thread Peter Blaha
I've no experience with Macs myself, but I know that some Mac-experts have 
wien2k running on Macs.

When you say, the scripts are not working, you may not have a   csh (or tcsh).


Am 03.04.2012 13:10, schrieb Marcelo Barbosa:
 Hello

 I'm currently using Wien2k on an Ubuntu machine and it's working fine, but i 
 would like to run it on Mac OS X 10.7 Lion.
 Is there anyone who could help me to compile and run Wien2k on a Mac OS X 
 machine?

 I have installed the Intel compilers for mac and the compilation runs without 
 any errors.
 I run w2web on terminal and it starts a session with no problem, but then on 
 the browser i'm only able to create the .struct file, none of the scripts are 
 working (including the RMT calculation when creating the .struct file).

 Can anyone help me?

 Best regards,
 Marcelo Barbosa
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
-
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-


[Wien] Run Wien2k on Mac OS X Lion

2012-04-04 Thread Gilles Hug
Dear Marcelo,
I have Wien2k running on the Mac although I don't use it very often.
I have not installed Lion.
You should first check that the disk is formatted with case sensitive 
(Unix-like) option.
Then try the Wien2k programs and scripts from the Terminal.
One problem maybe to find the runtime libraries which are located in a 
different place compared to other Linux styles, i. e. you need to check that 
the environment variables in the .bashrc are correct. This changes from 
versions of OSX and Intel.
Bon courage,
Gllles

Le 4 avr. 2012 ? 06:58, Peter Blaha a ?crit :

 I've no experience with Macs myself, but I know that some Mac-experts have 
 wien2k running on Macs.
 
 When you say, the scripts are not working, you may not have a   csh (or tcsh).
 
 
 Am 03.04.2012 13:10, schrieb Marcelo Barbosa:
 Hello
 
 I'm currently using Wien2k on an Ubuntu machine and it's working fine, but i 
 would like to run it on Mac OS X 10.7 Lion.
 Is there anyone who could help me to compile and run Wien2k on a Mac OS X 
 machine?
 
 I have installed the Intel compilers for mac and the compilation runs 
 without any errors.
 I run w2web on terminal and it starts a session with no problem, but then on 
 the browser i'm only able to create the .struct file, none of the scripts 
 are working (including the RMT calculation when creating the .struct file).
 
 Can anyone help me?
 
 Best regards,
 Marcelo Barbosa
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 
 -- 
 -
 Peter Blaha
 Inst. Materials Chemistry, TU Vienna
 Getreidemarkt 9, A-1060 Vienna, Austria
 Tel: +43-1-5880115671
 Fax: +43-1-5880115698
 email: pblaha at theochem.tuwien.ac.at
 -
 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien



[Wien] Run Wien2k on Mac OS X Lion

2012-04-03 Thread Marcelo Barbosa
Hello

I'm currently using Wien2k on an Ubuntu machine and it's working fine, but i 
would like to run it on Mac OS X 10.7 Lion.
Is there anyone who could help me to compile and run Wien2k on a Mac OS X 
machine?

I have installed the Intel compilers for mac and the compilation runs without 
any errors.
I run w2web on terminal and it starts a session with no problem, but then on 
the browser i'm only able to create the .struct file, none of the scripts are 
working (including the RMT calculation when creating the .struct file).

Can anyone help me?

Best regards,
Marcelo Barbosa