[gmx-users] intel compiler + amd64: help needed.

Jones de Andrade johannesrs at gmail.com
Fri Jun 2 02:25:48 CEST 2006


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include/vec.h:54:  real invsqrt(real x)
include/vec.h:146:static inline real invsqrt(real x)
include/vec.h:466:  cos=ip*invsqrt(ipa*ipb);		/*  7		*/
include/vec.h:674:  linv=invsqrt(norm2(src));
src/mdlib/csettle.c:256:    axlng = invsqrt(xaksxd * xaksxd + yaksxd * yaksxd + zaksxd * zaksxd);
src/mdlib/csettle.c:257:    aylng = invsqrt(xaksyd * xaksyd + yaksyd * yaksyd + zaksyd * zaksyd);
src/mdlib/csettle.c:258:    azlng = invsqrt(xakszd * xakszd + yakszd * yakszd + zakszd * zakszd);
src/mdlib/csettle.c:296:      cosphi = tmp*invsqrt(tmp);
src/mdlib/csettle.c:305:      cospsi = tmp2*invsqrt(tmp2);
src/mdlib/csettle.c:323:      sinthe = (alpa * gama - beta * tmp2*invsqrt(tmp2)) / al2be2;
src/mdlib/csettle.c:328:      costhe = tmp2*invsqrt(tmp2);
src/mdlib/vsite.c:307:  c=b*invsqrt(iprod(temp,temp));
src/mdlib/vsite.c:328:  invdij = invsqrt(iprod(xij,xij));
src/mdlib/vsite.c:334:  b1 = b*invsqrt(iprod(xp,xp));
src/mdlib/vsite.c:380:  d=c*invsqrt(iprod(temp,temp));
src/mdlib/vsite.c:631:  invl=invsqrt(iprod(xix,xix));
src/mdlib/vsite.c:703:  invdij = invsqrt(iprod(xij,xij));
src/mdlib/vsite.c:710:  invdp = invsqrt(iprod(xperp,xperp));
src/mdlib/vsite.c:860:  invl=invsqrt(iprod(xix,xix));
src/mdlib/clincs.c:199:      rlen = invsqrt(tmp0*tmp0+tmp1*tmp1+tmp2*tmp2);
src/mdlib/clincs.c:287:      mvb = blc[b]*(len - u0*invsqrt(u0));
src/mdlib/clincs.c:364:    li->blc[i] = invsqrt(invmass[a1] + invmass[a2]);
src/mdlib/clincs.c:586:    len = r2*invsqrt(r2);
src/tools/gmx_nmeig.c:90:                    mass_fac=invsqrt(top->atoms.atom[i].m*top->atoms.atom[k].m);
src/tools/gmx_nmeig.c:112:                mass_fac = invsqrt(top->atoms.atom[j].m);
src/tools/gmx_nmeig.c:156:                    mass_fac=invsqrt(top->atoms.atom[iatom].m*top->atoms.atom[katom].m);
src/tools/gmx_nmeig.c:174:                mass_fac = invsqrt(top->atoms.atom[j].m);
src/tools/calcpot.c:123:      rinv1O            = invsqrt(rsqO);
src/gmxlib/orires.c:302:    invr = invsqrt(r2);
src/gmxlib/orires.c:460:      invr  = invsqrt(r2);
src/gmxlib/disre.c:160:      rt_1 = invsqrt(rt2);
src/gmxlib/disre.c:328:	weight_rt_1 = invsqrt(rt2);
src/gmxlib/ewald_util.c:200:	      rinv              = invsqrt(dr2);
src/gmxlib/ewald_util.c:287:	      rinv   = invsqrt(dr2);
src/gmxlib/nonbonded/nb_free_energy.c:159:            rinv             = invsqrt(rsq);
src/gmxlib/shift_util.c:237:	  R_1   = invsqrt(r2);
src/gmxlib/shift_util.c:239:	  R     = invsqrt(R_2);
src/gmxlib/shift_util.c:361:	  dr_1    = invsqrt(dr2);
src/gmxlib/bondfree.c:191:    dr   = dr2*invsqrt(dr2);                        /*  10          */
src/gmxlib/bondfree.c:200:    fbond    = -two*be*temp*cbomtemp*invsqrt(dr2);      /*   9          */
src/gmxlib/bondfree.c:250:    dr         = dr2*invsqrt(dr2);                      /*  10          */
src/gmxlib/bondfree.c:381:    dr   = dr2*invsqrt(dr2);		        /*  10		*/
src/gmxlib/bondfree.c:394:    fbond *= invsqrt(dr2);			/*   6		*/
src/gmxlib/bondfree.c:438:    dr   = dr2*invsqrt(dr2);		        /*  10		*/
src/gmxlib/bondfree.c:446:    fbond *= invsqrt(dr2);			/*   6		*/
src/gmxlib/bondfree.c:522:      r_nW = invsqrt(iprod(nW,nW));
src/gmxlib/bondfree.c:526:      r_OD = invsqrt(iprod(dOD,dOD)); 
src/gmxlib/bondfree.c:600:  r12_1  = invsqrt(r12sq);              /*  5 */
src/gmxlib/bondfree.c:721:      cik=st*invsqrt(nrkj2*nrij2);		/*  12		*/ 
src/gmxlib/bondfree.c:781:    dr   = dr2*invsqrt(dr2);		        /*  10		*/
src/gmxlib/bondfree.c:804:      cik=st*invsqrt(nrkj2*nrij2);		/*  12		*/ 
src/gmxlib/bondfree.c:833:    fbond *= invsqrt(dr2);			/*   6		*/
src/gmxlib/bondfree.c:907:      cik=st*invsqrt(nrkj2*nrij2);		/*  12		*/ 
src/gmxlib/bondfree.c:972:  nrkj  = nrkj2*invsqrt(nrkj2);	/* 10	*/
src/gmxlib/bondfree.c:1278:    c   = st*invsqrt(nrij2*nrkl2);		/*  11		*/ 
src/gmxlib/bondfree.c:1568:    rij_1    = invsqrt(iprod(r_ij,r_ij));
src/gmxlib/bondfree.c:1569:    rkj_1    = invsqrt(iprod(r_kj,r_kj));


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