Minor changes

Author: scemama

configure

@@ -223,7 +223,7 @@ if [[ "${PACKAGES}.x" != ".x" ]] ; then
 fi
 
 if [[ ${PACKAGES} = all ]] ; then
-        PACKAGES="cmake zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats trexio armadillo openorb simpleg_pu"
+        PACKAGES="cmake zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats trexio armadillo openorb simple_gpu"
 fi
 
 

src/mo_two_e_ints/cholesky.irp.f

@@ -72,7 +72,6 @@
      read(iunit) cholesky_mo_transp
      !$OMP PARALLEL DO PRIVATE(igpu)
      do igpu=0,gpu_num-1
-       call gpu_allocate(cholesky_mo_transp_d(igpu), cholesky_mo_num, mo_num, mo_num)
        call gpu_set_device(igpu)
        call gpu_allocate(cholesky_mo_transp_d(igpu), cholesky_mo_num, mo_num, mo_num)
        call gpu_upload(cholesky_mo_transp, cholesky_mo_transp_d(igpu))