Hi Sivasanker,
Unfortunately using your CMakeFiles.txt still fails with:
/home/diego/Downloads/amber22_src/build/CMakeFiles/CMakeTmp/CheckIncludeFile.c:1:10: fatal error: Windows.h: No such file or directory
1 | #include <Windows.h>
| ^~~~~~~~~~~
compilation terminated.
make[1]: *** [CMakeFiles/cmTC_8595a.dir/build.make:66: CMakeFiles/cmTC_8595a.dir/CheckIncludeFile.c.o] Error 1
make[1]: Leaving directory '/home/diego/Downloads/amber22_src/build/CMakeFiles/CMakeTmp'
make: *** [Makefile:121: cmTC_8595a/fast] Error 2
Do I need to make any changes to CMakeLists.txt or just run it as is?
I don’t know if this helps, but nvidia-smi shows CUDA version as 12.0, when actually it is 11.8:
*****.lambda-22:~/Downloads/amber22_src/build$ /usr/local/cuda/bin/nvcc --version
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Wed_Sep_21_10:33:58_PDT_2022
Cuda compilation tools, release 11.8, V11.8.89
Build cuda_11.8.r11.8/compiler.31833905_0
Should I switch to CUDA 12?
Thanks,
Jesse
> On Jan 22, 2024, at 9:08 PM, K A SIVASANKER <ka.sivasanker.ncl.res.in> wrote:
>
> Dear Aiton,
> Mostly problem will be some files of nvidia gcc did cot compile with conda forge.You can try to install it with old configuration using cuda 11.0 and also it may need some programs like netcdf,hdf.the details are given in the text file.
>
> Regards,
>
> Sivasanker K A
> NCL ID-12183
> c/o Dr. Kumar Vanka
> Physical & Material Chemistry
> CSIR NCL Pune
>
> ----- Original Message -----
> From: amber.ambermd.org
> To: amber.ambermd.org
> Sent: Tuesday, January 23, 2024 7:22:46 AM
> Subject: [AMBER] fatal error: Windows.h: No such file or directory
>
> Hello Amber Folks,
>
> I deployed Amber22 with Ubuntu 20.04 and the same CMAKE options as below for another client and it installed/worked.
>
> My current client has a very similar setup (Amber22, Ubuntu 20.04, Nvidia 525), yet running ./run_cmake fails with:
>
> /home/*******/Downloads/amber22_src/build/CMakeFiles/CMakeTmp/CheckIncludeFile.c:1:10: fatal error: Windows.h: No such file or directory
> 1 | #include <Windows.h>
> | ^~~~~~~~~~~
> compilation terminated.
>
> Not sure why it would be looking for a Windows header file or why it wants to fail there instead of just a warning. I tried the possible resolutions on this thread with no luck:
>
> http://archive.ambermd.org/202212/0092.html
>
>
> Here’s my new system’s info. Let me know if you'd like any other information:
>
> cmake $AMBER_PREFIX/amber22_src \
> -DCMAKE_INSTALL_PREFIX=/opt/amber22 \
> -DCOMPILER=GNU \
> -DNCCL=TRUE \
> -CUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda \
> -DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
> -DDOWNLOAD_MINICONDA=TRUE \
> 2>&1 | tee cmake.log
>
>
> +-----------------------------------------------------------------------------+
> | NVIDIA-SMI 525.125.06 Driver Version: 525.125.06 CUDA Version: 12.0 |
> |-------------------------------+----------------------+----------------------+
> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC |
> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. |
> | | | MIG M. |
> |===============================+======================+======================|
> | 0 NVIDIA GeForce ... Off | 00000000:41:00.0 On | N/A |
> | 0% 50C P8 22W / 270W | 398MiB / 8192MiB | 0% Default |
> | | | N/A |
> +-------------------------------+----------------------+----------------------+
>
> +-----------------------------------------------------------------------------+
> | Processes: |
> | GPU GI CI PID Type Process name GPU Memory |
> | ID ID Usage |
> |=============================================================================|
> | 0 N/A N/A 1793 G /usr/lib/xorg/Xorg 71MiB |
> | 0 N/A N/A 2587 G /usr/lib/xorg/Xorg 186MiB |
> | 0 N/A N/A 2767 G /usr/bin/gnome-shell 113MiB |
> | 0 N/A N/A 2862 G ...mviewer/tv_bin/TeamViewer 12MiB |
>
> Thanks for the help!
>
> - Jesse
>
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Received on Tue Jan 23 2024 - 08:30:02 PST
