Good moorning.
I have a NVIDIA GeForce GTX680 and I tried to make a compilation of lammps with the GPU package (and other optional packages too) following the documentation from the online-manual, but when i tried to run a benchmark problem, the newly created compilation says me the following:
Mike might have a suggestion
Steve
CUDA_ARCH = -arch=sm_13
should be
CUDA_ARCH = -arch=sm_30
Also, we have hit some issues with the CUDA 5 release candidate that you
are using for the driver. These are still being looked at...
- Mike
Ok. Thank you very much. That change avoids the error that talked about "GPU library no compiled for this accelerator" (I didn't try with -arch=sm_30 because i thinked that the maximum value for that variable was 21 and all the higher compute capabilities were included in that value)
but now, when I try to launch a simulation from de /benchmark/gpu directory or any examples/gpu, the following error appears:
ERROR: Invalid fix style (modify.cpp:666) [great line number...]
It's maybe caused by the CUDA 5 RC?¿? May i change the driver and the CUDA toolkit? What is the last version that works fine with lammps GPU & USER-CUDA?
Thank you in advanced Michael.
ERROR: Invalid fix style (modify.cpp:666) [great line number...]
I think that you need an old priest and a young priest...
In all seriousness though - remember not to use holy water on electronics.
was 21 and all the higher compute capabilities were included in that value)
Older versions of lammps had ptx embedded that could be compiled for the selected GPU. Currently, however, you should use the CC reported by nvc_get_devices
ERROR: Invalid fix style (modify.cpp:666)
Did you modify the package gpu line or forget to use 'make yes-gpu' to add the GPU package? Can you send the rest of the output?
It's maybe caused by the CUDA 5 RC
This should not be caused by CUDA 5 RC. This issues with CUDA 5RC on some platforms are with GPU initialization. All of the CUDA 4 versions should work.
- Mike
I re-compiled the library with arch=30 and "make yes-gpu". Now if i call the order "make package-status", the answer is the following
I re-compiled the library with arch=30 and "make yes-gpu". Now if i call
the order "make package-status", the answer is the following--------------------------------------------------------------------------------
[email protected]...:~/lammps-30Aug12/src$ make yes-gpu
Installing package gpu
[email protected]...:~/lammps-30Aug12/src$ make package-status
Installed NO: package ASPHERE
Installed YES: package CLASS2
Installed YES: package COLLOID
Installed NO: package DIPOLE
Installed YES: package FLD
Installed YES: package GPU
src/pair_dipole_cut_gpu.cpp does not exist
src/pair_gayberne_gpu.cpp does not exist
src/pair_resquared_gpu.cpp does not exist
src/pair_dipole_cut_gpu.h does not exist
src/pair_gayberne_gpu.h does not exist
src/pair_resquared_gpu.h does not exist
Installed YES: package GRANULAR
Installed NO: package KIM
Installed YES: package KSPACE
Installed YES: package MANYBODY
Installed NO: package MC
Installed YES: package MEAM
Installed YES: package MOLECULE
Installed YES: package OPT
Installed YES: package PERI
Installed YES: package POEMS
Installed YES: package REAX
Installed YES: package REPLICA
Installed NO: package RIGID
Installed YES: package SHOCK
Installed NO: package SRD
Installed NO: package XTCInstalled YES: package USER-MISC
Installed NO: package USER-ATC
Installed NO: package USER-AWPMD
Installed YES: package USER-CG-CMM
Installed NO: package USER-COLVARS
Installed NO: package USER-CUDA
Installed YES: package USER-EFF
Installed NO: package USER-EWALDN
Installed NO: package USER-OMP
Installed YES: package USER-MOLFILE
Installed YES: package USER-REAXC
Installed NO: package USER-SPH
----------------------------------------------------------------I tried to make a "make package-update" to solve that errors, but that
doesn't solve it...
it cannot, because you didn't install both the ASPHERE
and the DIPOLE package. you can only have GPU support
for pair styles where the corresponding CPU version of the
package is installed.
In the previous compilation, there was no error message from the GPU
package src files...Why sometimes those src files dissapear from the directory??? It has
happened to me more than once...
they don't "disappear". they get copied or removed as
you install or uninstall other packages. the package
update script, doesn't check for this (yet). having parts
of one package depend on another is a rather new
situation in LAMMPS and thus it'll take some effort
to resolve. you can have a look at the scripts Package.sh
and Install.sh to see how messy it can get, if you try
to set this up transparently. both scripts have a bad
case of "falling toothpick syndrome". 
But, surprise surprise.... after that compilation, the in.eam.gpu
benchmark script run without problems!!!
After being screwed three days with GPU library, maybe i forgot to add
the gpu-package to the compilation?? I'm happy :):)But, those src-non-existing-files warnings will have some effect in my
next simulations?
only if you want to do simulation with aspherical or dipole potentials.
cheers,
axel.
