Hi, everyone.
I compiled sander with MPICH compiled by PGI compiler .
I run test program '4096wat' ,so down with error coment ...
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APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION
using 5000.0 points per unit in tabled values
TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
| CHECK switch(x): max rel err = 0.2718E-14 at 2.447300
| CHECK d/dx switch(x): max rel err = 0.8388E-11 at 2.753760
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Total number of mask terms = 12288
Total number of mask terms = 24576
| Total Ewald setup time = 0.30999999
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Unit 7 Error on OPEN:
Unit 7 Error on OPEN:
[1] MPI Abort by user Aborting program !
[1] Aborting program!
p1_4121: p4_error: : 1
rm_l_1_4122: p4_error: interrupt SIGINT: 2
bm_list_4115: p4_error: net_recv read: probable EOF on socket: 1
Would you tell me how to solve this problem.
Thank you.
Received on Tue May 23 2000 - 05:34:15 PDT