Re: [Wien] Wien and XCrySDen Installation problem: access to root denied!

2013-05-31 Thread Ushma Ahuja
Thank you very much Dr. Marks and Dr. Blaha. I rebooted my system with rescue mode and edited the bashrc file. The wrong line added in bashrc was creating all the trouble. Thanks! regards, Ushma Ahuja ___ Wien mailing list

[Wien] Wien and XCrySDen Installation problem: access to root denied!

2013-05-30 Thread Ushma Ahuja
Dear Wien2k users, I am trying to install Wien2k_12.1 and xcrysden on a new I7 8-core machine.  All installations are being done in root. I managed to successfully install Wien2k_11.1 in parallel mode (compiler Intel Composer XE 2011 10.319, other environment: openmpi-1.4.5, fftw-3.3.3,

Re: [Wien] Wien and XCrySDen Installation problem: access to root denied!

2013-05-30 Thread Laurence Marks
This is not a Wien2k problem, you should be posting to a linux site. While I tend to install Wien2k in the directory as root, I then do a chmod and compile as a user. Working as root is dangerous and you have messed up things somehow (not sure how). You probably need to edit and clean out your

Re: [Wien] Wien and XCrySDen Installation problem: access to root denied!

2013-05-30 Thread Peter Blaha
You wrote: I added the line source ~/.bashrc in the bashrc file. (I'm sure this is NOT in any instructions !) This seems to be the problem ! You are indefinitely sourcing the bashrch file !!?? I'm not sure about fixing. As soon as you login as root you get this problem. If you have defined