Date: Wed, 12 Mar 2025 10:41:05 +0000
Hello all
I am using Amber 22 for MD simulation work on GeForce RTX 4090 with cuda 11.8, gcc, g++, gfortran 11 on ubuntu 22.
My system shows errors in processing cuda command and simulations as my structures and water box breaks and I don’t get stable results. Even after autoimaging the problem is not solved.
On the other hand, on other system RTX A6000, Amber22, cuda 11.8, the same simulation and same files ran properly and show results.
This seems to be the error in system RTX 4090 amber installation.
If anyone may can suggest any solution please provide me same as we need to fix the RTX4090.
I am attaching images for reference for both the results
If any further details are required please let me know
Thank you
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(image/png attachment: img_A6000.png)
(image/png attachment: img_RTX4090.png)
