Re: [gmx-users] Compiling GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10

2015-05-19 Thread Mark Abraham
Hi, Thanks, sorry about that. We'll fix that for next release. You can simply remove the call on line 472 of src/gromacs/mdlib/tpi.c Mark On Tue, May 19, 2015 at 5:59 PM Duy Tran Phuoc wrote: > Hi everyone, > I try to compile GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10 with the command > from ins

[gmx-users] Compiling GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10

2015-05-19 Thread Duy Tran Phuoc
Hi everyone, I try to compile GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10 with the command from installation instruction page http://www.gromacs.org/Documentation/Installation_Instructions_5.0#linear-algebra-libraries I use the Fujitsu compiler with the custom build toolchain as suggestion from the GRO