ONGOING GROUP PROJECTS

Information linked here is what can be made public. Files with sensitive information may be mentioned but should be placed in locations where only people with root access can read them.

2012

  1. VASP 4.6 installed on TAMNUN, /user/local/bin/VASP
  2. Help files for TAMNUN are at: /usr/local/help - Tamnun_PBS_Queues_users.txt
  3. New version of AViz, (6.1) on website of Dan Peled installs on new Red Hats, not on Fedora.
2011
  1. parconv.f Routine to convert dataset such as nanstar to dataset nanpartdat.xyz for input to AViz and out put to image. Based on earlier convert.f for transforming .xyz files.
  2. AViz 6.0 including polymer connections and variable width bonds is in preparation by A. Silverman and Y. Koenka
2010
  1. move to 316 completed, computer details at:phjoan23:~phr76ja/tempsfrom18/private.html
  2. phjoan23 replaced (with wrong computer) but remaining as is for now.
  3. pgplot on phjoan23 - compilation command - gfortran pgdemo1.f -o pgdemo1.ex -lpgplot -lX11
  4. Solutions to Latex problems for Physical Chemistry Journals from Irina
  5. GAMESS installation and use.[MAIN][INSTALLATION]
  6. Umbrella project with Michael/Thomas/Tali.[SUMMARY] currently only in phjoan23:~phr76ja/umb.html
  7. VASP installation completed on phjoan13, phjoan11 and phjoan5 with intel libraries by Amihai. You need to add the line in vaspenv to your .cshrc file once before using it, or enter this command each time you use it. (Dora's instructions also aat above link. VASP is for the use of Joan, Amihai and Jeremie only, group members who want to be added must see Joan.
  8. p4vasp installed on phjoan23 by Joan, can be downloaded from by anyone who wants it on their computer from the p4vasp site
  9. VASP tutorial and temporary NANCO VASP instructions and Dora's instructions: 
      ``In order to use Intel compilers and/or to use Intel MKL, you should add
Intel environment setup to the system profiles (see how it is done on ALUF).
For example, for tcsh users add to /etc/csh.login the following three lines:

source /opt/intel/Compiler/11.1/072/bin/iccvars.csh        # Intel C/C++
source /opt/intel/Compiler/11.1/072/bin/ifortvars.csh        # Intel Fortran
source /opt/intel/mkl/10.2.5.035/tools/environment/mklvars64.csh # Intel MKL

This will define the LD_LIBRARY_PATH variable (needed for VASP) and other
required variables as well.
  10. Vesta graphics code here

GROUP CODE REPOSITORIES and TIP LISTS

  1. Collection of Linux tips
  2. Slava's codes