Hi,
in my ongoing quest of failing to compile a fresh Amber checkout every
single time I try, I came across this problem:
I checked out a fresh copy of Amber, configured AmberTools (using intel
compilers V11.1) and built a serial version. Everything compiled fine
except for the mdgx substep. It failed with:
icc -c -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2 -D_FILE_OFFSET_BITS=64
-D_LARGEFILE_SOURCE -DBINTRAJ -Wall -I../fftw-3.2.2/api -o Trajectory.o
Trajectory.c
Trajectory.c(19): catastrophic error: could not open source file
"AmberNetcdf.h"
#include "AmberNetcdf.h"
Two versions of the missing file are present in src/sff and src/cpptraj,
but it seems that none was made for mdgx. ./configure succeded on netcdf
and netcdf_config.log shows no errors. Is this a known problem? Any
workarounds or should I just comment out the mdgx compile step?
Kind Regards,
Thomas
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Thu Feb 24 2011 - 09:00:05 PST
