Re: [AMBER] compilation error AMBER16

From: David Case <>
Date: Thu, 27 Dec 2018 20:56:06 +0000

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 Thu Dec 27 2018 - 13:00:01 PST
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