On my Compaq alpha, with Machine file Machine.axp.f90 per bugfix 11,
and a Linux system, AMBER compiled with Compaq C and Compaq Fortran
crashes in the nmr test of make test.all. The crash is due to a
floating point error. The crash seems to be related
to the mdin.nmr file employed in the test. Other inputs to sander run
without incident. I can reset all the flags between &cntrl and &end in
the mdin.nmr file to those of a different file, and no crash. I get a
similar floating point error in the nmode test, so perhaps the nmode_3.in
file has a similar problem. Both the nmr and nmode output files are
attached. Can someone tell me what might be wrong here? Many thanks.
Elizabeth White
Attachment Converted: "c:\eudora\attach\mdout1"
Attachment Converted: "c:\eudora\attach\vibs.out"
Received on Wed Jun 06 2001 - 14:22:46 PDT
