Hi all,
I'm trying to install AMBER 11. I have successfully installed AmberTools
1.5. (And all tests that don't need sander passed, apart
from mmpbsa_py/06_NAB_Nmode, which is not a concern for me right now.)
OS is linux, running Rocks 5.3.
Compilers:
gcc 4.1.2
flex 2.5.35
I applied the most recent bugfix.all for both AmberTools 1.5 and AMBER 11
before compilation.
I also ran 'make check' in $AMBERHOME/AmberTools/src/netcdf/src, which
passed completely.
When doing 'make serial', I first got the following error:
cp ../../AmberTools/src/netcdf/include/*.mod .
cp: cannot stat `../../AmberTools/src/netcdf/include/*.mod': No such file or
directory
make[1]: *** [netcdf.mod] Error 1
It turned out that $AMBERHOME/AmberTools/src/netcdf/include didn't exist,
but that $AMBERHOME/AmberTools/include did contain two *.mod files
(netcdf.mod and typesizes.mod).
So I did 'make clean', and then made
the $AMBERHOME/AmberTools/src/netcdf/include directory with simlinks to
the $AMBERHOME/AmberTools/include/*mod files.
After doing this, 'make serial' resulted in the following error (or very
similar):
cp ../../AmberTools/src/netcdf/bin/ncdump .
cp: cannot stat `../../AmberTools/src/netcdf/bin/ncdump': No such file or
directory
make[1]: *** [netcdf.mod] Error 1
Again, $AMBERHOME/AmberTools/src/netcdf/bin didn't exist,
but $AMBERHOME/bin/ncdump did exist and can be executed. So, I did 'make
clean' again, made the simlinks in $AMBERHOME/AmberTools/src/netcdf/include
again, and now also created $AMBERHOME/AmberTools/src/netcdf/bin and
copied $AMBERHOME/bin/ncdump and $AMBERHOME/bin/ncgen into it.
Now, 'make serial' obviously passes beyond the previous problems, but it
is unsuccessful with the next step, compiling constants.o:
cp ../../AmberTools/src/netcdf/include/*.mod .
cp ../../AmberTools/src/netcdf/bin/ncdump
/users/chmwvdk/software/amber11/bin
cpp -traditional constants.f > _constants.f
gfortran -c -O3 -o constants.o _constants.f
In file constants.f:24
module constants
1
Error: Non-numeric character in statement label at (1)
In file constants.f:24
module constants
1
Error: Unclassifiable statement at (1)
In file constants.f:28
double precision, parameter :: TEN_TO_MINUS2 = 1.0d-2
1
Error: Non-numeric character in statement label at (1)
In file constants.f:28
double precision, parameter :: TEN_TO_MINUS2 = 1.0d-2
1
And many more of these errors.
Perhaps my simple 'fixes' above were just hiding a bigger problem.
Any help with how to proceed is greatly appreciated!
Thanks,
Marc
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Received on Tue May 24 2011 - 03:30:03 PDT
