remove debug script

pyscf · Dec 9, 2024 · 7dca6ae · 7dca6ae
1 parent df7a1ff
commit 7dca6ae
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Showing 2 changed files with 1 addition and 18 deletions.
diff --git a/gpu4pyscf/lib/gvhf-md/unrolled_md_j.cu b/gpu4pyscf/lib/gvhf-md/unrolled_md_j.cu
@@ -5018,20 +5018,6 @@ int md_j_unrolled(RysIntEnvVars *envs, JKMatrix *jk, BoundsInfo *bounds,
     dim3 threads(16, 16);
     dim3 blocks;
     int ijkl = lij*9 + lkl;
-    printf("%d %d %d %d %d\n", ijkl, li, lj, lk, ll);
-    cudaFuncAttributes funcAttributes;
-    // Query the max dynamic shared memory size attribute
-    cudaError_t err = cudaFuncGetAttributes(
-        &funcAttributes,
-        md_j_2_0
-    );
-
-    if (err != cudaSuccess) {
-        printf("Error querying function attribute: %s\n", cudaGetErrorString(err));
-        return -1;
-    }
-
-    printf("Max Dynamic Shared Memory Size: %d bytes\n", funcAttributes.cudaFuncAttributeMaxDynamicSharedMemorySize);
 
     switch (ijkl) {
     case 0: // lij=0, lkl=0

diff --git a/gpu4pyscf/scf/j_engine.py b/gpu4pyscf/scf/j_engine.py
@@ -96,17 +96,14 @@ def get_j(mol, dm, hermi=1, vhfopt=None, omega=None, verbose=None):
         pair_loc_on_gpu.data.ptr,
     )
 
-    libvhf_md.init_mdj_constant(ctypes.c_int(SHM_SIZE))
-
     uniq_l_ctr = vhfopt.uniq_l_ctr
     uniq_l = uniq_l_ctr[:,0]
     l_ctr_bas_loc = vhfopt.l_ctr_offsets
     l_symb = [lib.param.ANGULAR[i] for i in uniq_l]
     n_groups = len(uniq_l_ctr)
     tile_mappings = {}
     workers = gpu_specs['multiProcessorCount']
-    print(gpu_specs)
-    exit()
+
     info = cp.empty(2, dtype=np.uint32)
 
     for i in range(n_groups):