Hi David,
I realized what the problem was. Apparently the recent Amber 20 is not compatible with AmberTools20 anymore. I downloaded AmberTools21 and Amber was successfully installed.
Thank you very much for helping me.
Joanna
________________________________
From: David A Case <david.case.rutgers.edu>
Sent: Wednesday, December 8, 2021 9:50 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Error for installing the GPU version of Amber20
On Wed, Dec 08, 2021, jinfeng liu wrote:
>
>I come across another problem when I make install the GPU version of
>Amber20. The error message is in the following,
>
>/usr/local/cuda-11.3/include/thrust/detail/cpp11_required.h:23:6: ´يخَ£؛#error
>C++11 is required for this Thrust feature; please upgrade your compiler or
>pass the appropriate -std=c++XX flag to it.
>
>It seems like the compiler's problem. I use gcc version 4.8.5 20150623 (Red
>Hat 4.8.5-44) (GCC). What should I do? or how to enable the -std=c++11
>option?
1. Consider upgrading your compiler. GCC 4.8.5 was released in June, 2015.
This may help with things other than the problem listed above, since few
Amber developers are still using this compiler. Don't go above gcc/gfortran
9.
2. Try the following patch to the CompilerFlags.cmake file in
amber20_src/cmake:
diff --git a/cmake/CompilerFlags.cmake b/cmake/CompilerFlags.cmake
index fba09518a9..46ea28656a 100644
--- a/cmake/CompilerFlags.cmake
+++ b/cmake/CompilerFlags.cmake
.. -59,6 +59,8 .. endmacro(add_flags)
#---------------------------------------------------------------------------------------------------------------------------------------------------------------------
if("${CMAKE_C_COMPILER_ID}" STREQUAL "GNU")
+ add_flags(CXX -std=c++11)
+
add_flags(C -Wall -Wno-unused-function -Wno-unknown-pragmas)
if(NOT UNUSED_WARNINGS)
(By hand: just add the lines marked by "+" at about line 61 of this file.)
This is untested, since I don't have a machine with gcc4, but the Cmake
build report indicates that it does indeed add the flag to the compiler.
...hope this helps....dac
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Received on Tue Dec 14 2021 - 20:30:02 PST
