Re: [AMBER] Error for installing the GPU version of Amber20

From: Joanna Michelle E. Chua <>
Date: Wed, 15 Dec 2021 04:18:27 +0000

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.

From: David A Case <>
Sent: Wednesday, December 8, 2021 9:50 PM
To: AMBER Mailing List <>
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

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

2. Try the following patch to the CompilerFlags.cmake file in

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)

+ add_flags(CXX -std=c++11)
         add_flags(C -Wall -Wno-unused-function -Wno-unknown-pragmas)


(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

AMBER mailing list

CONFIDENTIALITY NOTICE: This email, including its attachments, is meant for the use of the person/s it is addressed to. It may contain personal data, or confidential or privileged information protected from unauthorized use or disclosure by law. If you are not the intended recipient, please be informed that the copying, disseminating, disclosing, or acting based on the information contained herein is strictly prohibited. Please contact the sender immediately and permanently delete this email, including its attachments from your system.

Unless indicated, this email and/or its attachment/s does not reflect the view or policies of the Philippine Nuclear Research Institute.
AMBER mailing list
Received on Tue Dec 14 2021 - 20:30:02 PST
Custom Search