[AMBER-Developers] Compilation of AMBER Tools

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 8 Jun 2011 22:36:55 -0700

Hi All,

Can anybody actually compile AMBER Tools from the git tree anymore without
using bleeding edge compilers?

Gfortran in Redhat EL5.4 (4.1.2)

gfortran -c -O3 -ffree-form -o qmmm_module.o _qmmm_module.f
 In file _qmmm_module.f:371

   logical, dimension(:), allocatable :: qxd_supported
                                    1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file _qmmm_module.f:372

   double precision, dimension(:), allocatable :: qxd_s, qxd_z0, qxd_zq,
qxd_d0
                                             1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file _qmmm_module.f:512

        integer, dimension(:), allocatable::MM_atomType ! the MM atom types
fo
                                         1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file _qmmm_module.f:513

        logical, dimension(:), allocatable::supported
                                         1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file _qmmm_module.f:514

        integer, dimension(:), allocatable::atomic_number ! atomic number
for e
                                         1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file _qmmm_module.f:515

        double precision, dimension(:), allocatable::LJ_r, LJ_epsilon ! the
MM
                                                  1
Error: Attribute at (1) is not allowed in a TYPE definition


Intel 11.1.069

ifort -V
Intel(R) Fortran Intel(R) 64 Compiler Professional for applications running
on Intel(R) 64, Version 11.1 Build 20100203 Package ID:
l_cprof_p_11.1.069
Copyright (C) 1985-2010 Intel Corporation. All rights reserved.
FOR NON-COMMERCIAL USE ONLY

cc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -D_FILE_OFFSET_BITS=64
-D_LARGEFILE_SOURCE -DBINTRAJ -DRISMSFF -o sff.o sff.c
eff.c(25): warning #161: unrecognized #pragma
  #pragma omp parallel reduction (+: e_cons) private (i, rx, ry, rz, rw)
          ^

eff.c(101): warning #161: unrecognized #pragma
  #pragma omp parallel reduction (+: e_bond) \
          ^

eff.c(201): warning #161: unrecognized #pragma
  #pragma omp parallel reduction (+: e_theta) \
          ^

eff.c(368): warning #161: unrecognized #pragma
  #pragma omp parallel reduction (+: e_tors) \
          ^

eff.c(1024): warning #161: unrecognized #pragma
  #pragma omp parallel \
          ^

eff.c(1102): warning #161: unrecognized #pragma
  #pragma omp for schedule(dynamic, blocksize)
          ^
etc etc.

All the best
Ross

/\
\/
|\oss Walker

---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------

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Received on Wed Jun 08 2011 - 23:00:03 PDT
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