AMBER Archive (2004)

Subject: AMBER: amber8 compile on Lemieux

From: Guanglei Cui (
Date: Thu Jun 03 2004 - 10:06:21 CDT

Dear all,

I tried to compile amber8 with ./configure -mpi compaqf90, but am having
problem with the compiled sander binary. Here is the error message from
mdout and PBS. Did I compile it correctly? It seems there's a
Machines/Machines.axp_f90_quadrics, but how should I choose it? Thanks.


| Flags: MPI getting new box info from bottom of inpcrd|
peek_ewald_inpcrd: Box info found
|Largest sphere to fit in unit cell has radius = 41.169
| INFO: Old style PARM file read

forrtl: severe (64): input conversion error, unit 8, file
    0: __FINI_00_remove_gp_range [0x3ff81a21488]
    1: __FINI_00_remove_gp_range [0x3ff81a21aac] 2:
__FINI_00_remove_gp_range [0x3ff81a55940]
    3: rdparm1_ [_rdparm.f: 627, 0x120082940]
    4: sander_ [_sander.f: 2436, 0x12004fb38] 5: multisander_
[_sander.f: 885, 0x12004f440]
    6: main [for_main.c: 203, 0x1201336dc] 7: __start
[0x12001b078]forrtl: error (76): IOT trap signal
    0: __FINI_00_remove_gp_range [0x3ff81a21488]
    1: __FINI_00_remove_gp_range [0x3ff81a2a910] 2:
__FINI_00_remove_gp_range [0x3ff800d9c30]
    3: __FINI_00_remove_gp_range [0x3ff800ed6d4] 4:
__FINI_00_remove_gp_range [0x3ff80220090] 5: __FINI_00_remove_gp_range
    6: __FINI_00_remove_gp_range [0x3ff801d21f8]
    7: __FINI_00_remove_gp_range [0x3ff81a215c4] 8:
__FINI_00_remove_gp_range [0x3ff81a21aac] 9: __FINI_00_remove_gp_range
[0x3ff81a55940] 10: rdparm1_ [_rdparm.f: 627, 0x120082940] 11: sander_
[_sander.f: 2436, 0x12004fb38]
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