[AMBER-Developers] Sander parallel build broken by PBSA updates

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 16 Feb 2016 02:11:18 -0600

commit 5232a253440e3e27dd022c220cdc2fa8329b065c
Author: Ray Luo <rayluo.dhcp-204146.bio.uci.edu>
Date: Mon Feb 15 10:41:36 2016 -0800

    Changes submitted:
    1) A SES version of the membrane system (sasopt=0)
    2) Revised density (sasopt=2) approach for proteins for effiency
    3) A new P3M for full nonlinear PB or linear PB targeting CUDA later
    4) Radiopt=1 updates to include newer protein atom types
    5) Restructured pb_force.F90, pb_fdfrc.F90, and pb_bldsys.F90

./configure -mpi gnu
make install
mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC -ffree-form -I/Users/rcw/amber/amber/include -I/Users/rcw/amber/amber/include -o dcopy.o dcopy.F90
mpif90 -DBINTRAJ -DEMIL -DMPI -c -O3 -mtune=native -fPIC -ffree-form -I/Users/rcw/amber/amber/include -I/Users/rcw/amber/amber/include -o pb_force.o pb_force.F90

                                   sa_init, sa_driver, sa_free, sa_free_mb, &
Error: Symbol 'saslave_init' referenced at (1) not found in module 'solvent_accessibility'
make[3]: *** [pb_force.o] Error 1
make[2]: *** [libpbsa] Error 2
make[1]: *** [parallel] Error 2
make: *** [install] Error 2

Looks like it may just need the ifdef removing from the head of this subroutine:

#if !defined SANDER && !defined LIBPBSA
#ifdef MPI
#define REQUIRE(e) if(.not.(e)) call croak(__FILE__,__LINE__)
subroutine saslave_init(natom)
   implicit none

But figure it's better for the Ray to confirm here.

All the best

|\oss Walker

| Associate Research Professor |
| San Diego Supercomputer Center |
| Adjunct Associate 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 Tue Feb 16 2016 - 00:30:03 PST
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