Dear Amber users!
I've faced with the problem of Amber-14 installation via
./configure -cuda gnu
I had not have any problems with the configure
drunk_telecaster amber14 # ./configure -cuda gnu
Checking for updates...
Checking for available patches online. This may take a few seconds...
Available AmberTools 14 patches:
No patches available
Searching for python2... Found python2.7: /usr/bin/python2.7
CUDA Version 5.5 detected
Obtaining the gnu suite version:
gcc -v
The version is 4.8.2
Testing the gcc compiler:
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
testp.c
OK
Testing the g++ compiler:
g++ -o testp testp.cpp
OK
Testing the gfortran compiler:
gfortran -O0 -o testp testp.f
OK
Testing mixed C/Fortran compilation:
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o
testp.c.o testp.c
gfortran -O0 -c -o testp.f.o testp.f
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
testp.c.o testp.f.o -lgfortran -w
OK
Testing pointer size:
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o
test_pointer_size test_pointer_size.c
Detected 64 bit operating system.
Testing flex: OK
Checking NetCDF...
Using bundled NetCDF library.
Using existing NetCDF in '/home/own/amber14'
Checking for zlib: OK
Checking for libbz2: OK
Skipping configuration of FFTW3
The configuration file, config.h, was successfully created.
--------------------------------------------------------------------------------
Environment resource files are provided to set the proper environment
variables to use AMBER and AmberTools.
If you use a Bourne shell (e.g., bash, sh, zsh, etc.), source the
/home/own/amber14/amber.sh file in your shell. Consider adding the line
test -f /home/own/amber14/amber.sh && source /home/own/amber14/amber.sh
to your startup file (e.g., ~/.bashrc)
If you use a C shell (e.g., csh, tcsh), source the
/home/own/amber14/amber.csh file in your shell. Consider adding the line
test -f /home/own/amber14/amber.csh && source /home/own/amber14/amber.csh
to your startup file (e.g., ~/.cshrc)
If you have not already done so, you may need to add /usr/local/cuda-5.5/lib
and/or /usr/local/cuda-5.5/lib64 to LD_LIBRARY_PATH using the command
export LD_LIBRARY_PATH="/usr/local/cuda-5.5/lib:${LD_LIBRARY_PATH}"
(bash, sh)
setenv LD_LIBRARY_PATH "/usr/local/cuda-5.5/lib:${LD_LIBRARY_PATH}"
(tcsh, csh)
--------------------------------------------------------------------------------
The next step is to type 'make install'
but make install results in the
drunk_telecaster amber14 # make install
cd AmberTools/src && make install
make[1]: Entering directory `/home/own/amber14/AmberTools/src'
AmberTools14 has no CUDA-enabled components
(cd ../../src && make cuda )
make[2]: Entering directory `/home/own/amber14/src'
make[2]: *** No rule to make target `cuda'. Stop.
make[2]: Leaving directory `/home/own/amber14/src'
make[1]: [cuda] Error 2 (ignored)
make[1]: Leaving directory `/home/own/amber14/AmberTools/src'
==============================================================
/home/own/amber14/src/Makefile not found, or -noamber was set.
This is expected if you do not have Amber14.
==============================================================
I have properly installed cuda driver and toolkits on this workstation
using another MD packages.
James
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Received on Thu May 01 2014 - 00:30:02 PDT
