[AMBER] Amber installation error for Intel Xeon machine (ubuntu 20.04)

From: Chen, Guoquan <guoquan.chen.intel.com>
Date: Tue, 2 Nov 2021 21:51:25 +0000


  I downloaded Amber20 and Amber20 Tools, and have successfully installed it with GCC only and GCC+Cuda.
Now when I tried to install it for Intel Xeon machine (Icelake Xeon, with Ubuntu 9.3.0-17ubuntu1~20.04). Here is the error message I got from
build/run_cmake (#the only change is from GNU to INTEL for compiler)

-- **************************************************************************
-- Starting configuration of Amber version 20.0.0...
-- CMake Version: 3.16.3
-- 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
CMake Error: Generator: execution of make failed. Make command was: /usr/bin/gmake cmTC_6554c/fast &&
CMake Error at cmake/CompilationOptions.cmake:62 (message):
  Could not detect target architecture from compiler. Does the compiler
Call Stack (most recent call first):
  cmake/AmberBuildSystem2ndInit.cmake:38 (include)
  CMakeLists.txt:111 (include)

  It appears that something is wrong when checking the target architecture in CMake. How to proceed?
Thanks for any help,


From: Chen, Guoquan
Sent: Monday, November 1, 2021 5:26 PM
To: amber-subscribe.ambermd.org<mailto:amber-subscribe.ambermd.org>

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Received on Tue Nov 02 2021 - 15:00:02 PDT
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