Re: [AMBER] compilation error AMBER16

From: Seibold, Steve Allan <>
Date: Fri, 28 Dec 2018 15:52:56 +0000

Thanks for the response...I really appreciate the help and will do as you suggest....

-----Original Message-----
From: David Case <>
Sent: Thursday, December 27, 2018 2:56 PM
To: AMBER Mailing List <>
Subject: Re: [AMBER] compilation error AMBER16

On Thu, Dec 27, 2018, Seibold, Steve Allan wrote:
>I am attempting to compile AMBER16 on a cluster, and after I did
>"./configure gnu" successfully, I did "make install" after awhile I got
>the errors listed below. I am using gcc 6.3 compiler...Is this the
>problem? Do I need an older/newer version gcc?

Make the following change to

--- a/AmberTools/src/rism/getopts_c.F90
+++ b/AmberTools/src/rism/getopts_c.F90
.. -587,10 +587,11 .. contains
   function get_c_pt(key, type,length)! result(value)
     implicit none
+ integer, intent(in) :: length
     character(len=*), intent(in) :: key
     character(len=length),pointer,dimension(:) :: type
     character(len=length),pointer,dimension(:) :: get_c_pt
- integer, intent(in) :: length
     integer :: ikey, nval
     ikey = array_index(clongkey,key)

That is, move the declaration of length up to right after the "implict none" statement.

This, and many, many other problems, are fixed in AmberTools18, so you should really consider upgrading. It's easy to combine AmberTools18 with Amber16, or you could also upgrade pmemd to Amber18.

Here's the explanation: gcc6.3 was released in Dec. of 2016, well after the April 2016 release of Amber16. The fix above was made in October, 2016, and is fixed in both AmberTools17 and AmberTools18. Most people who are still using Amber16 have either upgraded to AmberTools17, or are still using old compilers that were around when they originally installed AmberTools16.


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Received on Fri Dec 28 2018 - 08:00:02 PST
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