diff --git a/src/mp2grad.F90 b/src/mp2grad.F90 index 7b57ff9..06e638a 100644 --- a/src/mp2grad.F90 +++ b/src/mp2grad.F90 @@ -389,7 +389,7 @@ subroutine mp2gradmulti(emp2st,egrad,egradtmp,cmo,energymo,xint,nocc,noac,nvir,n mlsize2=(msize-nao*numi-2*nao2)/(nao*(numi+1)) if(mlsize2 > maxsize) mlsize2= maxsize call memset(numi*mlsize2*nao+nao*numi*nthread+nao2*nthread+nao2+nao*mlsize2,datacomp) - allocate(tisml(numi*mlsize2*nao),xlmi(nao*numi*nthread),xlmn(nao2*nthread), & + allocate(tisml(numi*mlsize2*nao),xlmi(nao*numi),xlmn(nao2), & & work1(nao2),work2(nao*mlsize2)) ! if(ipass /= npass) then