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Dear VASP users:

The installation of VASP.5.2 has troubled us for several weeks.
We've compiled VASP.4.6 on Suse10 plateform successfully using Intel 11 compiler and have submitted some testing jobs downloaded from the VASP workshop for verification. It runs without any problem even for other advanced systems. When it came to VASP.5.2, the same installation procedure was valid; however, the testing jobs showed different result comparing to which published on the Handson pdf. For example, the calculation of work function for pure nickel (3_6_Ni111clean_400eV) gave totally nonsense in local potential profile, and the calculated LDOS result (3_7_COonNi111 LDOS) could not match with the exhibited plot.

After many tries, we found that the correct result could be expected to come out only when the system is cubic (where NGX=NGY=NGZ). Another critical problem is that the job would fail without any error information when it went to the next ionic step for large systems (more than about 40 atoms):
----------------------------------------- Iteration 1( 1) ---------------------------------------
----------------------------------------- Iteration 1( 2) ---------------------------------------
... …
----------------------------------------- Iteration 1( 18) ---------------------------------------
--------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.09: real time 0.09
--------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------
WAVPRE: cpu time 0.02: real time 0.02
FEWALD: cpu time 0.00: real time 0.00
GENKIN: cpu time 0.02: real time 0.02
(JOB ENDED HERE, NO INFORMATION BELLOW…)

I went over the old threads to check if someone encountered the same problem. It seems like the stack size limit may be the cause. Then I saw this:
--
a) set KMP_STACKSIZE explicitely
(setenv KMP_STACKSIZE=2m would e.g. set it to 2 Megabytes)
please ask your sys admin about the maximum available stack size and/or to increase the stack size maximum..
b) check the stack limit of your shell (“ulimit-s"); if it is limited, please set “ulimit -s unlimited" for your shell (in the .bashrc file for example)
--(by admin 2/26/2008)

I tried, but still in vain.
Hope to hear some suggestions from you.
Thanks!

Hsin

1) please note the differences between vasp 5 and vasp4 (the version which was used for the workshop). please read the messages written to .sdout when you do this excercise.

2) concerning the crash: if the stack size is the problem, the job crashes immediately, before the first electronic step is done. Therefore the reason of your crash must be something different. Please provide some more details about what you actually do.

Thanks a lot!
The problem has been solved. There are some compiling mistakes about the LAPACK library.

hello tofu ,I also have the problem that vaspended the same as you,so please tell me how to solve this problem,thanks in advance