Hi Amber users,
I have run into a compilation error with the latest updates to amber. Attached to this email is a log of the 'make install' output from a standard './configure -cuda gnu'.
::snippet::
./cuda/cuda.a -L/usr/local/cuda/lib64 -L/usr/local/cuda/lib -lcurand -lcufft -lcudart -L/usr/lib64 -lstdc++ -L/usr/local/amber12/lib -L/usr/local/amber12/lib -lnetcdf
bintraj.o: In function `__bintraj_mod_MOD_checkerror.part.0':
bintraj.F90:(.text+0x6e): undefined reference to `__netcdf_MOD_nf90_strerror'
bintraj.o: In function `__bintraj_mod_MOD_end_binary_frame':
bintraj.F90:(.text+0x332): undefined reference to `__netcdf_MOD_nf90_put_var_1d_eightbytereal'
bintraj.F90:(.text+0x35e): undefined reference to `__netcdf_MOD_nf90_sync'
bintraj.F90:(.text+0x4ba): undefined reference to `__netcdf_MOD_nf90_put_var_1d_eightbytereal'
bintraj.F90:(.text+0x4cf): undefined reference to `__netcdf_MOD_nf90_sync'
...
I was able to bypass this error by configuring without netcdf, './configure -cuda -nobintraj gnu'. It doesn't fix the issue but gives me a workable pmemd.cuda to test. (I've been following the titan discussion)
System specs:
Ubuntu 12.04
gcc 4.6.3
gfortran 4.6.3
Cuda cards:
Titan
GTX 680
Quadro 5600
Thanks,
~Matt
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Received on Thu Jun 06 2013 - 08:30:04 PDT
