Dear Developers:
I am a new user of amber. I tried to install amber12 on our center's machine (Keeneland, GATech & UTK & ORNL). I loaded the following modules, very similar to the setting we used to install abmer11.
[shiquan1.kid117 amber12]$ module list
Currently Loaded Modulefiles:
1) modules 4) gold 7) gcc/4.4.0 10) mpiexec/0.84
2) torque/2.5.11 5) openmpi/1.5.1-gnu 8) cuda/4.2 11) mvapich2/1.8
3) moab/6.1.5 6) PE-gnu 9) limic2/0.5.4
I followed the instruction in AmberTools12.pdf, like:
./configure -cuda gnu
make install
make test.cuda
The configuration and install steps seem to complete normally. But when I do make test.cuda, I got the following error message. I loaded cuda/4.2 already. Why I still fail about "CUDA driver version". Which CUDA driver version I need. This is what I have on the machine. Thanks for any help:
[shiquan1.kid117 amber12]$ nvidia-smi
Wed Sep 12 15:37:09 2012
+------------------------------------------------------+
| NVIDIA-SMI 2.285.05 Driver Version: 285.05.33 |
(cd test && make test.cuda)
make[1]: Entering directory `/nics/e/sw/keeneland/amber/12/centos5.5_gnu4.4.0/amber12/test'
./test_amber_clean.sh
./test_amber_cuda.sh
Using default PREC_MODEL = SPFP
Warning. DO_PARALLEL is set to mpirun -np 8. This environment variable is being unset.
make[2]: Entering directory `/nics/e/sw/keeneland/amber/12/centos5.5_gnu4.4.0/amber12/test'
cd cuda && make -k test.pmemd.cuda PREC_MODEL=SPFP
make[3]: Entering directory `/nics/e/sw/keeneland/amber/12/centos5.5_gnu4.4.0/amber12/test/cuda'
------------------------------------
Running CUDA Implicit solvent tests.
Precision Model = SPFP
------------------------------------
cd gb_ala3/ && ./Run.igb1_ntc1_min SPFP /sw/keeneland/amber/12/centos5.5_gnu4.4.0/amber12/include/netcdf..
mod
cudaGetDeviceCount failed CUDA driver version is insufficient for CUDA runtime version
./Run.igb1_ntc1_min: Program error
make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored)
cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc1 SPFP /sw/keeneland/amber/12/centos5.5_gnu4.4.0/amber12/includee
/netcdf.mod
cudaGetDeviceCount failed CUDA driver version is insufficient for CUDA runtime version
./Run.irest1_ntt0_igb1_ntc1: Program error
make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored)
……..
……..
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Received on Wed Sep 12 2012 - 13:00:03 PDT
