Re: Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-30 Thread Szilárd Páll
Hi, I've never seen/had my hands on the Tesla T10 so I didn't know that's the name it reports. I'll fix this for the next release. Rest assured that on this hardware Gromacs-GPU should run just fine. On the other hand, your driver version is very strange: CUDA Driver Version = 4243455, while it s

Re: Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-15 Thread Bongkeun Kim
Hello, This is the output from deviceQuery command: ./deviceQuery Starting... CUDA Device Query (Runtime API) version (CUDART static linking) There are 4 devices supporting CUDA Device 0: "Tesla T10 Processor" CUDA Driver Version: 3.20 CUDA Runtime Version:

Re: Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-15 Thread Justin A. Lemkul
Bongkeun Kim wrote: Hello, I tried using 1fs timestep and it did not work. I'm using nvidia T10 gpus(c1060 or s1070) and mdrun-gpu said it's not supported gpu and I had to use "force-device=y". Do you think this is the reason of the error? Probably. Please note the documentation and the s

Re: Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-15 Thread Szilárd Páll
Hi, Tesla C1060 and S1070 should is definitely supported so it's strange that you get that warning. The only thing I can think of is that for some reason the CUDA runtime reports the name of the GPUS other than C1060/S1070. Could you please run the deviceQuery from the SDK and provide the output h

Antw: Re: Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-15 Thread Emanuel Peter
Hello Did you use constraints = none instead of LINCS. It could work better bests, Emanuel >>> Bongkeun Kim 15.12.10 9.42 Uhr >>> Hello, I tried using 1fs timestep and it did not work. I'm using nvidia T10 gpus(c1060 or s1070) and mdrun-gpu said it's not supported gpu and I had to use "

Re: Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-15 Thread Bongkeun Kim
Hello, I tried using 1fs timestep and it did not work. I'm using nvidia T10 gpus(c1060 or s1070) and mdrun-gpu said it's not supported gpu and I had to use "force-device=y". Do you think this is the reason of the error? Thanks. Bongkeun Kim Quoting Emanuel Peter : Hello, If you use for y

Antw: [gmx-users] NaN error using mdrun-gpu

2010-12-15 Thread Emanuel Peter
Hello, If you use for your timestep 1fs instead of 2fs, it could run better. Bests, Emanuel >>> Bongkeun Kim 15.12.10 8.36 Uhr >>> Hello, I got an error log when I used gromacs-gpu on npt simulation. The error is like: --- Inp