Issue with compiling NUFEB on Mac OSX (10.13.4)

[MI-SIM]

I am trying to compile the latest version of NUFEB on Mac High Sierra following the Readme instructions.

1. In STUBS I get the following Warning messages:

g++ -O -fPIC -c mpi.c
clang: warning: treating 'c' input as 'c++' when in C++ mode, this behavior is deprecated [-Wdeprecated]
mpi.c:114:1: warning: control may reach end of non-void function [-Wreturn-type]
}
^
1 warning generated.
ar rs libmpi_stubs.a mpi.o
ar: creating archive libmpi_stubs.a

2. Then when compiling in src, using make serial:

../../src/molecule.h:14:9: warning: 'LMP_ONE_MOLECULE_H' is used as a header
guard here, followed by #define of a different macro [-Wheader-guard]
#ifndef LMP_ONE_MOLECULE_H
^~~~~~~~~~~~~~~~~~
../../src/molecule.h:15:9: note: 'LMP_ONE_MOLEUCULE_H' is defined here; did you
mean 'LMP_ONE_MOLECULE_H'?
#define LMP_ONE_MOLEUCULE_H

This is fixed by correcting the spelling of MOLECULE in molecule.h

3. An error message is also generated:

*g++ -std=c++0x -O -pg -DLAMMPS_GZIP -I../../src -I../STUBS -M ../finish.cpp > finish.d
g++ -std=c++0x -O -pg -DLAMMPS_GZIP -I../../src -I../STUBS -c ../finish.cpp
../finish.cpp:574:40: error: ordered comparison between pointer and zero
('int ' and 'int')
if (neighbor->lists[m]->numneigh > 0) {

This issue I cannot resolve and may be linked to warning 1.

Please advise.

Thanks,
Matt

[shelllbw]

Hi Matt,

We haven't tested the code on Mac, but please try with the latest version in https://github.com/shelllbw/nufeb repository. The instruction for compilation is in code/doc/nufeb3.0-manual/ dir. Basically, you will need to have openmpi library installed and then in src/
$ make yes-user-nufeb
$ make yes-granular
$ make -j4 mpi
Let me know if it still does not work.

Bowen

[MI-SIM]

Thanks Bowen, Had some issues with installing openmpi, but once I have sorted that will let you know. Best matt From: Bowen Li <notifications@github.com> Reply-To: nufeb/NUFEB <reply@reply.github.com> Date: Friday, 22 June 2018 at 09:03 To: nufeb/NUFEB <NUFEB@noreply.github.com> Cc: Matthew Wade <matthew.wade@newcastle.ac.uk>, Author <author@noreply.github.com> Subject: Re: [nufeb/NUFEB] Issue with compiling NUFEB on Mac OSX (10.13.4) (#1) Hi Matt, We haven't tested the code on Mac, but please try with the latest version in https://github.com/shelllbw/nufeb repository. The instruction for compilation is in code/doc/nufeb3.0-manual/ dir. Basically, you will need to have openmpi library installed and then in src/ $ make yes-user-nufeb $ make yes-granular $ make -j4 mpi Let me know if it still does not work. Bowen — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub<#1 (comment)>, or mute the thread<https://github.com/notifications/unsubscribe-auth/AQYf_ASZ8ua1hTokH2F4PnIsn7d5vxXgks5t_Or-gaJpZM4Uylt->.

[MI-SIM]

Bowen, Attached is a screenshot of the error message I get when performing the final make step. Seems mpi related matt From: Bowen Li <notifications@github.com> Reply-To: nufeb/NUFEB <reply@reply.github.com> Date: Friday, 22 June 2018 at 09:03 To: nufeb/NUFEB <NUFEB@noreply.github.com> Cc: Matthew Wade <matthew.wade@newcastle.ac.uk>, Author <author@noreply.github.com> Subject: Re: [nufeb/NUFEB] Issue with compiling NUFEB on Mac OSX (10.13.4) (#1) Hi Matt, We haven't tested the code on Mac, but please try with the latest version in https://github.com/shelllbw/nufeb repository. The instruction for compilation is in code/doc/nufeb3.0-manual/ dir. Basically, you will need to have openmpi library installed and then in src/ $ make yes-user-nufeb $ make yes-granular $ make -j4 mpi Let me know if it still does not work. Bowen — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub<#1 (comment)>, or mute the thread<https://github.com/notifications/unsubscribe-auth/AQYf_ASZ8ua1hTokH2F4PnIsn7d5vxXgks5t_Or-gaJpZM4Uylt->.

[shelllbw]

Hi Matt, I cannot find your attachment here. Could you resend it via email please.
Bowen

[MI-SIM]

Bowen, I sent the reply to your normal e-mail address as I got failed delivery notifications about message being too large on the nufeb address/github Let me know if you get it Regards matt From: Bowen Li <notifications@github.com> Reply-To: nufeb/NUFEB <reply@reply.github.com> Date: Sunday, 24 June 2018 at 06:45 To: nufeb/NUFEB <NUFEB@noreply.github.com> Cc: Matthew Wade <matthew.wade@newcastle.ac.uk>, Author <author@noreply.github.com> Subject: Re: [nufeb/NUFEB] Issue with compiling NUFEB on Mac OSX (10.13.4) (#1) Hi Matt, I cannot find your attachment here. Could you resend it via email please. Bowen — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub<#1 (comment)>, or mute the thread<https://github.com/notifications/unsubscribe-auth/AQYf_Cdj5xYGA9M9u-jl1HD2Vtx7UfC0ks5t_23NgaJpZM4Uylt->.