Dear Paul and Mark, Thank you for the suggestions. I just upgraded NVIDIA driver from 384 to 410 and the problem is solved.
Regards, Adarsh V. K. ------------------------------ Message: 6 Date: Tue, 8 Jan 2019 18:29:18 -0600 From: paul buscemi <pbusc...@q.com> To: "gmx-us...@gromacs.org" <gmx-us...@gromacs.org> Subject: Re: [gmx-users] Gromacs 5.1.4 with GTX 780TI on Ubuntu 16.04; upgraded with GTX1080TI Message-ID: <639c609a-1675-4848-bbad-2748e96a7...@q.com> Content-Type: text/plain; charset=utf-8 I just built from a similar situation but also went to Ubuntu Mint Tara 19 , cuda runtime 10 ( used the Nvidia web site .run version not the deb - do not install the driver from the toolkit ) added the 410 driver from the PPA and the system is quite happy. I believe I ran across some information that suggests that the mixture of Runtime 8, Cuda driver 9 and Ubuntu 16 is not a good mix. I?ll try to look for it later if you need further information Paul ------------------------------------------------------------------- From: Adarsh V. K. <adarsh_p13008...@nitc.ac.in> Date: Wed, Jan 9, 2019 at 1:03 AM Subject: Gromacs 5.1.4 with GTX 780TI on Ubuntu 16.04; upgraded with GTX1080TI To: <gromacs.org_gmx-users@maillist.sys.kth.se> Dear all, recently upgraded Gromacs 5.1.4 with GTX 780TI on Ubuntu 16.04 with a new GPU GTX1080TI. CUDA from 7.5 to 8. Driver 384. Problem: GPU not detected during MD run. Details are as follows: 1) Running on 1 node with total 8 cores, 8 logical cores, 0 compatible GPUs Hardware detected: But deviceQuery as follows 2) ./deviceQuery ./deviceQuery Starting... CUDA Device Query (Runtime API) version (CUDART static linking) Detected 1 CUDA Capable device(s) Device 0: "GeForce GTX 1080 Ti" CUDA Driver Version / Runtime Version 9.0 / 8.0 CUDA Capability Major/Minor version number: 6.1 Total amount of global memory: 11169 MBytes (11711807488 bytes) (28) Multiprocessors, (128) CUDA Cores/MP: 3584 CUDA Cores GPU Max Clock rate: 1658 MHz (1.66 GHz) Memory Clock rate: 5505 Mhz Memory Bus Width: 352-bit L2 Cache Size: 2883584 bytes Maximum Texture Dimension Size (x,y,z) 1D=(131072), 2D=(131072, 65536), 3D=(16384, 16384, 16384) Maximum Layered 1D Texture Size, (num) layers 1D=(32768), 2048 layers Maximum Layered 2D Texture Size, (num) layers 2D=(32768, 32768), 2048 layers Total amount of constant memory: 65536 bytes Total amount of shared memory per block: 49152 bytes Total number of registers available per block: 65536 Warp size: 32 Maximum number of threads per multiprocessor: 2048 Maximum number of threads per block: 1024 Max dimension size of a thread block (x,y,z): (1024, 1024, 64) Max dimension size of a grid size (x,y,z): (2147483647, 65535, 65535) Maximum memory pitch: 2147483647 bytes Texture alignment: 512 bytes Concurrent copy and kernel execution: Yes with 2 copy engine(s) Run time limit on kernels: Yes Integrated GPU sharing Host Memory: No Support host page-locked memory mapping: Yes Alignment requirement for Surfaces: Yes Device has ECC support: Disabled Device supports Unified Addressing (UVA): Yes Device PCI Domain ID / Bus ID / location ID: 0 / 1 / 0 Compute Mode: < Default (multiple host threads can use ::cudaSetDevice() with device simultaneously) > deviceQuery, CUDA Driver = CUDART, CUDA Driver Version = 9.0, CUDA Runtime Version = 8.0, NumDevs = 1, Device0 = GeForce GTX 1080 Ti Result = PASS -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.