[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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