FILE *fp, *log;
int nf, i, i1, i2, j;
- gmx_large_int_t nrms = 0;
+ gmx_int64_t nrms = 0;
matrix box;
rvec *xtps, *usextps, *x1, **xx = NULL;
else /* !bReadMat */
{
rms = init_mat(nf, method == m_diagonalize);
- nrms = ((gmx_large_int_t)nf*((gmx_large_int_t)nf-1))/2;
+ nrms = ((gmx_int64_t)nf*((gmx_int64_t)nf-1))/2;
if (!bRMSdist)
{
fprintf(stderr, "Computing %dx%d RMS deviation matrix\n", nf, nf);
rmsd = rmsdev(isize, mass, xx[i2], x1);
set_mat_entry(rms, i1, i2, rmsd);
}
- nrms -= (gmx_large_int_t) (nf-i1-1);
- fprintf(stderr, "\r# RMSD calculations left: " gmx_large_int_pfmt " ", nrms);
+ nrms -= (gmx_int64_t) (nf-i1-1);
+ fprintf(stderr, "\r# RMSD calculations left: " "%"GMX_PRId64 " ", nrms);
}
sfree(x1);
}
set_mat_entry(rms, i1, i2, rms_dist(isize, d1, d2));
}
nrms -= (nf-i1-1);
- fprintf(stderr, "\r# RMSD calculations left: " gmx_large_int_pfmt " ", nrms);
+ fprintf(stderr, "\r# RMSD calculations left: " "%"GMX_PRId64 " ", nrms);
}
/* Clean up work arrays */
for (i = 0; (i < isize); i++)