<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:10pt"><div style="font-family: arial, helvetica, sans-serif;">Dear Wien2k users,</div><div style="font-family: arial, helvetica, sans-serif;"><br></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;">I am trying to install Wien2k_12.1 and xcrysden on a new I7 8-core machine. </div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;">All installations are being done in root.</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;">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, scalapack-2.0.2). After doing a test run for TiC successfully, I proceeded with installation of xcrysden. </div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;"><span style="font-style: normal;">After following the configuration steps of xcrysden, I added the line </span><span style="font-style: italic;">source ~/ .bashrc</span> in the bashrc file. After that, I followed the following steps (conducted at root prompt of terminal)</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: italic;">cd xcrysden</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: italic;">cd XCrysD_src/xcrysden</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px;
background-color: transparent; font-style: italic;">make install</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: italic;"><br></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;">I did not notice any change after this and then I entered at the same terminal prompt</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;"><span style="font-style: italic;">source ~/ .bashrc</span><br></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;"><span style="font-style: italic;"><br></span></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;"><span>Now my
problem here is that as soon as I pressed enter after this command, something went wrong and the terminal prompt disappeared. Slowly all processors started getting 100% engaged in 'bash' job (as seen from system manager tab). I tried to stop it using ctrl+c at the terminal. Nothing happened.</span></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;"><span>I could write anything on the terminal but no response was there from the system and also I could not see anything else on the terminal except whatever I wrote. No jobs could run.</span></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;"><span><br></span></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;"><span style="font-style: normal;">After some time, ctrl+c rendered
me a new prompt line at the terminal </span><span style="font-style: italic;">(bash 3.1 ~# </span>instead of<span style="font-style: italic;"> root@ocaldomain ~#) </span>and with this prompt line, I could see the system response to whatever commands I wrote on the terminal and also I could run jobs. However, if I entered any command to change the directory, the working directory would change without any change in the prompt line. It would always remain <span style="font-style: italic;">bash 3.1~#.</span></div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent;">At this stage, I restarted the computer and then when I tried to log into root, the following message appeared in a dialog box:</div><div style="font-family: arial, helvetica, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: italic;"><br></div><div style="color: rgb(0, 0, 0);
font-size: 13px; font-style: italic;"><span style="line-height: 15px; font-size: 10pt; background-color: rgb(255, 255, 255); font-family: arial, helvetica, sans-serif;">Your session only lasted less than 10 seconds. If you have not logged out yourself, this could mean that there is some installation problem or that you may be out of diskspace. Try logging in with one of the failsafe sessions to see if you can fix this problem.</span></div><div style="color: rgb(0, 0, 0); font-size: 10pt; font-style: italic; font-family: arial, helvetica, sans-serif; background-color: rgb(255, 255, 255);"><span style="line-height: 15px; font-size: 10pt; background-color: rgb(255, 255, 255); font-family: arial, helvetica, sans-serif;"><br></span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: arial, helvetica, sans-serif; background-color: transparent;"><span style="line-height: 15px; font-size: 10pt; background-color: rgb(255, 255, 255); font-family:
arial, helvetica, sans-serif;">with the .xsession-error reading as </span></div><div style="color: rgb(0, 0, 0); font-size: 10pt; font-style: italic; font-family: arial, helvetica, sans-serif; background-color: rgb(255, 255, 255);"><span style="color: rgb(68, 68, 68); font-family: arial, sans-serif; font-size: 13px; line-height: 16px;">localuser:root being added to access control list. No profile for user 'root' found</span><span style="color: rgb(68, 68, 68); font-family: arial, sans-serif; font-size: 13px; line-height: 16px;"> </span></div><div style="color: rgb(0, 0, 0); font-size: 10pt; font-style: italic; font-family: arial, helvetica, sans-serif; background-color: rgb(255, 255, 255);"><span style="line-height: 15px; font-size: 10pt; background-color: rgb(255, 255, 255); font-family: arial, helvetica, sans-serif;"><br></span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: arial, helvetica, sans-serif;
background-color: transparent;"><span style="line-height: 15px;">I was able to login through local user without any problem. Only with root this message occurs.</span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: arial, helvetica, sans-serif; background-color: transparent;"><span style="line-height: 15px;">I tried logging in GNOME and KDE sessions but again I could not log into root with them.</span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: arial, helvetica, sans-serif; background-color: transparent;"><span style="line-height: 15px;">As suggested, I tried logging in with a failsafe session, but the failsafe terminal disappears in less than 10 seconds, leaving no time to attempt fixing anything. </span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 10pt;"><span style="background-color: rgb(255, 255, 255);">I
also tried to log into root through the local user's terminal. but the login failed again.</span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255, 255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);"><br></span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;"><span style="background-color: rgb(255, 255, 255);">I request Wien users to kindly suggest me steps so that I can login as root and further assume working on Wien. Also, kindly guide me that after getting out of this problem, how I can run Wien jobs in local user (I have done the installations in root). What changes do I need to make and where? </span></div><div style="font-family: Ubuntubeta,
Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255, 255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);">(Please excuse the long mail!)</span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255, 255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);"><br></span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;"><span style="background-color: rgb(255, 255, 255);">Thanks,</span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255,
255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);"><br></span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: transparent; font-style: normal;"><span style="background-color: rgb(255, 255, 255);">Ms. Ushma Ahuja</span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255, 255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);">Faculty of Engineering</span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255, 255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);">Mohan Lal Sukhadia University</span></div><div
style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; background-color: rgb(255, 255, 255); font-style: normal;"><span style="background-color: rgb(255, 255, 255);">Udaipur, India </span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; font-style: italic; background-color: rgb(255, 255, 255);"><span style="background-color: rgb(255, 255, 255);"><br></span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; font-style: italic; background-color: transparent;"><span style="background-color: rgb(255, 255, 255);"><br></span></div><div style="font-family: Ubuntubeta, Ubuntu, 'Bitstream Vera Sans', 'DejaVu Sans', Tahoma, sans-serif; color: rgb(0, 0, 0); font-size: 13px; font-style:
italic; background-color: rgb(255, 255, 255);"><span style="background-color: rgb(255, 255, 255);"> </span></div></div></body></html>