[Pw_forum] A possible bug of pp.x

胡树军 Shu-jun Hu hushujun at mail.sdu.edu.cn
Tue Apr 29 14:55:31 CEST 2008


Dear the developers:
When i perform the post-processing calculation to obtain the charge and spin
density, i found a possible bug. Since the node have a dual core processor, i
sequentially started two pp jobs (plot_num = 0 and plot_num = 6) in less than 5
seconds (charge density of plot_num = 0 is earlier). The running time is about 2
minutes. However, the output data of charge and spin density are almost the same.
Both are more likely the output of earlier job, although there are still some
error data (the xcrysden image is ill). But when i run the later one until the
earlier one has been finished, everything is OK.
  The vesion of the code is 3.2.3 and the parallel compiled pp.x runs in serial
model.
                            

                                         Shujun Hu










------------------------------
Shujun Hu                   e-mail:  hushujun at 163.com
Shandong university         Phone:   +86/0531-88375097
Jinan, Shandong Province, China, 250100



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