Re: [Wien] Upgrade to Wien2k18.2

2018-11-27 Thread Fecher, Gerhard
a [onnyorup@gmail.com] Gesendet: Mittwoch, 28. November 2018 07:34 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Upgrade to Wien2k18.2 Dear Prof. Gavin The w2web process is running fine.. anupriya@anupriya-ThinkCentre-M93p:~$ ps -ef | grep w2web anupriya 10398 1704 0 18:35 ?

Re: [Wien] Upgrade to Wien2k18.2

2018-11-27 Thread Subhasis Panda
Dear Prof. Gavin The w2web process is running fine.. anupriya@anupriya-ThinkCentre-M93p:~$ ps -ef | grep w2web anupriya 10398 1704 0 18:35 ?00:00:00 /usr/bin/perl /home/anupriya/wien2k_18.2/SRC_w2web/bin/w2web anupriya 10590 10316 0 18:53 pts/200:00:00 grep --color=auto w2web I

Re: [Wien] Upgrade to Wien2k18.2

2018-11-17 Thread Gavin Abo
Your .bashrc seems okay.  It looks like w2web started just fine. You may want to check that the w2web process is running as it should be, for example: username@computername:~$ ps -ef | grep w2web username 2557  1701  0 07:45 ?    00:00:00 /usr/bin/perl

Re: [Wien] Upgrade to Wien2k18.2

2018-11-16 Thread Subhasis Panda
Dear Prof. Gavin, I'm using Wien2k for the first time & not familiar with much of that. So, I really don't have idea what information do I need to share with. Anyway, thanks a lot for your support. This is the current status. I have set w2web with userid and password.

Re: [Wien] Upgrade to Wien2k18.2

2018-11-13 Thread Gavin Abo
Previously, you wrote: site configuring is done. I assume compilation already went well and that no error messages were given after "Compile time errors (if any) were" [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06000.html ,

Re: [Wien] Upgrade to Wien2k18.2

2018-11-13 Thread Subhasis Panda
Dear Chouaib AHMANI FERDI, Before site configuring "*Step 1:** sudo apt-get install tcsh*" is done. After "*Step 2: sudo update-alternatives --config csh* Select *tcsh* from the list of choices available." again should I site configure?? On Thu, Nov 8, 2018 at 10:03 PM Chouaib AHMANI FERDI <

Re: [Wien] Upgrade to Wien2k18.2

2018-11-13 Thread Subhasis Panda
Dear Gavin, I have intel openmpi in my PC but am not doing parallelization. The following are the compiler options..once the compilation is done should I again recompile it?? *** * Specify compiler and linker

Re: [Wien] Upgrade to Wien2k18.2

2018-11-08 Thread Chouaib AHMANI FERDI
Hi, try the following : *Step 1:* *sudo apt-get install tcsh* *Step 2:* *sudo update-alternatives --config csh* Select *tcsh* from the list of choices available. It worked for me. Faithfully, On Thu, Nov 8, 2018 at 12:31 PM Gavin Abo wrote: > Someone might be able to help, but you

Re: [Wien] Upgrade to Wien2k18.2

2018-11-08 Thread Gavin Abo
Someone might be able to help, but you have to provide more information. Does it give a command not found: username@computername:~$ w2web w2web: command not found That can happen if WIENROOT is not set properly, for example: username@computername:~$ grep "export WIENROOT" ~/.bashrc export

[Wien] Upgrade to Wien2k18.2

2018-11-07 Thread Subhasis Panda
Dear Users, I have downloaded wien2k_18.2 and followed the instructions given in UG for installation on a desktop PC having core i7 with ubuntu 16.04 operating system, fortran compiler ifort, math libraries MKL. During site configuring it showed "word too long". To solve this , I have replaced