[AMBER] Install Amber22 CUDA_12.0

From: ABDELATIF MESSAOUDI via AMBER <amber.ambermd.org>
Date: Wed, 27 Mar 2024 10:53:49 +0100

Dear Amber community,

I'm trying to install Amber22, with cuda 12.0 and I'm having some problems.
I do not have problems when I try to
install Amber without cuda.

I edited the run_cmake file to something like

root.lcmvar-System-Version:/home/lcmvar/SOFT/amber22/amber22_src/build#
./run_cmake 
-- 
**************************************************************************
-- Starting configuration of Amber version 22.0.0...
-- CMake Version: 3.27.4
-- For how to use this build system, please read this wiki:
--     http://ambermd.org/pmwiki/pmwiki.php/Main/CMake
-- For a list of important CMake variables, check here:
--     http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options
-- 
**************************************************************************
-- Amber source found, building AmberTools and Amber
-- MPI C Compiler: /usr/bin/mpicc
-- MPI CXX Compiler: /usr/bin/mpicxx
-- MPI Fortran Compiler: /usr/bin/mpif90
-- If these are not the correct MPI wrappers, then set
MPI_<language>_COMPILER to the correct wrapper and reconfigure.
-- Found and removed RPATH control flags from MPI flags
-- Found and removed RPATH control flags from MPI flags
-- Found and removed RPATH control flags from MPI flags
-- Found and removed RPATH control flags from MPI flags
-- Found and removed RPATH control flags from MPI flags
-- Found and removed RPATH control flags from MPI flags
CMake Warning (dev) at cmake/CudaConfig.cmake:11 (find_package):
  Policy CMP0146 is not set: The FindCUDA module is removed.  Run "cmake
  --help-policy CMP0146" for policy details.  Use the cmake_policy command
to
  set the policy and suppress this warning.
Call Stack (most recent call first):
  CMakeLists.txt:122 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.
-- CUDA version 12.0 detected
-- Configuring for SM5.0, SM5.2, SM5.3, SM6.0, SM6.1, SM7.0, SM7.5 and SM8.0
-- Checking CUDA and GNU versions -- compatible
CMake Error at cmake/LibraryTracking.cmake:153 (message):
  Attempt to import library cublas from nonexistant path
  "/usr/lib/x86_64-linux-gnu/libcublas.so"
Call Stack (most recent call first):
  cmake/CudaConfig.cmake:147 (import_library)
  CMakeLists.txt:122 (include)
-- Configuring incomplete, errors occurred!
If errors are reported, search for 'CMake Error' in the cmake.log file.
If the cmake build report looks OK, you should now do the following:
    make install
    source /home/lcmvar/SOFT/amber22/amber22/amber.sh
Consider adding the last line to your login startup script, e.g. ~/.bashrc
root.lcmvar-System-Version:/home/lcmvar/SOFT/amber22/amber22_src/build#
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Received on Wed Mar 27 2024 - 03:00:02 PDT
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