Hello everybody,
I'm trying to compile PMEMD in a opteron cluster running under linux.
I tested two different versions of intel compilers. (10.1.021 & 11.0.074),
with the mkl libraries: 10.1.1.019.
I have test it with and without the mpich2 libraries (nopar option) with the
same result. No compilation.
The configure instruction was:
*./configure linux64_opteron ifort mpich2 fftw bintraj*
In the version 11 the compilation remains stacked in the point
*ifort -c -auto -tpp7 -xW -ip -O3 pmemd.f90*
while in the versión 10.1 it looks like after succesfully compiling all the
subprograms it stops with the next error message:
*fortcom: Severe: **Internal compiler error: internal abort** Please report
this error along with the circumstances in which it occurred in a Software
Problem Report. Note: File and line given may not be explicit cause of this
error.*
* *
*ifort: error #10014: problem during multi-file optimization compilation
(code 3)*
*make[1]: *** [pmemd] Error 3*
*make[1]: Leaving directory `/usr/local/src/amber10/src/pmemd/src'*
*make: *** [install] Error 2*
**
Since I have read that some problems arise with ifort 11, I have tested some
options suggested in the mirror just for ifort 10.1:
*1) making sure that the correct mpi installation is in your path, do a
"mpif77 -link_info" and see what libraries the mpif77 command says you need
to link. Then replace the MPI_LIBS entry with this info; this only gets
sort of complicated if the information is in different directories (this
approach is discussed in the README).*
*2) I am leaning toward suggesting this approach more and more - simply hack
the pmemd config.h, replacing "F90 = ifort" with "F90 = mpif77" and "LOAD =
ifort" with "LOAD = mpif77". This is often an easy fix; in the past I have
not liked doing it because it puts you at the mercy of the mpif77 script
being right, and wierd and obscure things can happen; that said, we get a
lot of that going on with the config script facility as it is currently
written.*
**
But the error is still the same.
*fortcom: Severe: **Internal compiler error: internal abort** Please report
this error along with the circumstances in which it occurred in a Software
Problem Report. Note: File and line given may not be explicit cause of this
error.*
*ifort: error #10014: problem during multi-file optimization compilation
(code 3)
make[1]: *** [pmemd] Error 3
make[1]: Leaving directory `/usr/local/src/amber10/src/pmemd/src'
make: *** [install] Error 2*
**
Should I change the parallel library/compiler combination? Any suggestion?
Thank you very much
Alex.
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Received on Fri Feb 12 2010 - 03:00:02 PST
