Hi, amber user.
Recently I am trying compile amber6 sander with MPICH(1.2.0) compiled
with PGI-3.1 compiler on linux.
I could compile sander.
But, I couldn't run the test 4096wat.
Sander crash with the messages.....
I think that Unit 7 is mdinfo.
---------------------------------------------------
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 = 0.3242E-14 at 2.436720
| CHECK d/dx switch(x): max rel err = 0.8156E-11 at 2.782960
---------------------------------------------------
Total number of mask terms = 12288
Total number of mask terms = 24576
| Total Ewald setup time = 0.32999999
------------------------------------------------------------------------------
Unit 7 Error on OPEN:
Unit 7 Error on OPEN:
[1] MPI Abort by user Aborting program !
[1] Aborting program!
p1_18240: p4_error: : 1
rm_l_1_18241: p4_error: interrupt SIGINT: 2
bm_list_18234: p4_error: net_recv read: probable EOF on socket: 1
Would you tell me to solve the problem.
Thank you.
Received on Fri May 26 2000 - 07:09:42 PDT
