[Wien] WIEN2k_04.10

[Shen Li Qiu]

Hello all,
 I would appreciate if you would help me to solve the problem for updating
the WIEN code.

(1) The downloaded WIEN2k_04_executables works fine on our Dell cluster
using parallel mode. 

(2) The WIEN2k_04_executables won't work for calculations which require
IDKP greater than 5000. So I have to change IDKP in SRC_kgen/main.f  and
then compile the source files. I downloaded the current version code
WIEN2k_04.10 and compiled using the recommended options (with only a change
from r8 to - r8 in the options). No error message appeared in the compiling
process. 

The jobs (which ran successfully with the downloaded WIEN2k_04_executables)
were crashed at lapw2. Here are some of the error messages:

(a) Message from the case.dayfile
 >   lapw2 -c  -p        (11:05:25) running LAPW2 in parallel mode
**  LAPW2 crashed!
3.716u 1.021s 1:42.40 4.6%      0+0k 0+0io 78692pf+0w
Ø	stop error

(b) Message from STDOUT
FORTRAN STOP  LAPW2 END
Input/Output Error 148: Invalid character 
   In Procedure: outp
        At Line: 181
      Statement: Formatted READ
           Unit: 1001
   Connected To: HcpZn_130kb_vtop_423.help_36031
           Form: Formatted
         Access: Sequential
Records Read   : 893
Records Written: 0
Current I/O Buffer:
  L= 2 **********   11215.242   678.566     0.000     0.000     0.000
       !
End of diagnostics
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory

(c)  Message from case.scf_xx
case.scf2_35:   QTL-B VALUE .EQ. 2624.28502   !!! Check for ghostbands,
EIGENVALUES BELOW XX messages or adjust your Energy-parameters   or use
-in1new switch  !!!
case.scf2_36:   QTL-B VALUE .EQ. **********   !!! Check for ghostbands,
EIGENVALUES BELOW XX messages or adjust your Energy-parameters   or use
-in1new switch  !!!


(3) The WIEN2k_04.10 code was compiled on Dell Optiplex GX260 with 512MB of
memory using Redhat 7.3 and Intel(R) Fortran Compiler for 32-bit
applications, Version 7.1.  No error message appeared during the compiling
process.

The submitted jobs ran on a cluster with total 64 Pentium IV Computing
Nodes (4 2.4 GHz, 512 MB ram, 20 GB HD).

  Please let me know how to compile the source files on my machine in order
to make it work just like the downloaded WIEN2k_04_executables (with the
same input files, same initilization process but with larger IDKP).

 Thank you in advance.

 Shen Li Qiu