[CPMD-list] Problem with the test run

c00ycl00 c00ycl00 at nchc.gov.tw
Tue Feb 25 16:30:31 CET 2003


Dear all,

        I have installed the CPMD3.7 on IBM SMP sp2 successfully.
But when I run cpmd.x with the input file Si64 ( in the cpmd-test/std ),
there are some error messages in the output file and the program stop.
The error message is listed below:

  86  3.057E-05   3.291E-07    -247.841768    2.057E-10      4.38
  87  3.095E-05   3.251E-07    -247.841768   -3.675E-10      4.40
  88  3.137E-05   3.220E-07    -247.841768   -4.918E-10      4.49
  89  3.175E-05   3.198E-07    -247.841768   -9.088E-10      4.49
  90  3.206E-05   3.188E-07    -247.841768   -1.902E-09      4.41
  91  3.225E-05   3.184E-07    -247.841768   -2.563E-09      4.40
  92  3.209E-05   3.172E-07    -247.841768   -9.405E-09      4.46
IN FOURIER SPACE:                               252.000000000000
IN REAL SPACE:                              ********************

PROGRAM STOPS IN SUBROUTINE RHOOFR| TOTAL DENSITY SUMS ARE NOT EQUAL [PROC=   0]
 
Has anyone met this error ever?  Can anyone help me to solve this problem?
Thank you for your help.

Yung-Chiang Lan



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