Task 38687511
| Name | test_63-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3110_0 |
| Workunit | 31628898 |
| Created | 28 Oct 2026, 8:13:42 UTC |
| Sent | 28 Oct 2026, 8:13:45 UTC |
| Report deadline | 2 Nov 2026, 8:13:45 UTC |
| Received | 28 Oct 2026, 8:38:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 11 min 49 sec |
| CPU time | 11 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 107,364.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 760.88 MB |
| Peak swap size | 13.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:26:40 (27644): wrapper (7.9.26016): starting
16:26:40 (27644): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
16:26:41 (27644): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:26:41 (27644): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:37:58 (27644): C:/Windows/system32/cmd.exe exited; CPU time 675.000000
16:37:58 (27644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 11513001 bytes.
Dumping objects ->
{3835687} normal block at 0x0000024A28B49520, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835676} normal block at 0x0000024A28B497C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835665} normal block at 0x0000024A28B49D00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835654} normal block at 0x0000024A28B49750, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835643} normal block at 0x0000024A28B496E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835612} normal block at 0x0000024A2AC838A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835599} normal block at 0x0000024A28B1D700, 8 bytes long.
Data: < )J > 00 00 0E 29 4A 02 00 00
{3834089} normal block at 0x0000024A28B1DB10, 8 bytes long.
Data: <p4 *J > 70 34 CE 2A 4A 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000024A28B21570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000024A28B16BE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000024A28B261C0, 16 bytes long.
Data: < n (J > 18 6E B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000024A28B268A0, 16 bytes long.
Data: < m (J > F0 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000024A28B1EE40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000024A28B26850, 16 bytes long.
Data: < m (J > C8 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000024A28B264E0, 16 bytes long.
Data: < m (J > A0 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024A28B26170, 16 bytes long.
Data: <xm (J > 78 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024A28B26800, 16 bytes long.
Data: <Pm (J > 50 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024A28B23C50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000024A28B26620, 16 bytes long.
Data: < X (J > 18 58 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024A28B1F3E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000024A28B25FE0, 16 bytes long.
Data: < W (J > F0 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024A28B267B0, 16 bytes long.
Data: < W (J > C8 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024A28B263A0, 16 bytes long.
Data: < W (J > A0 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024A28B25F90, 16 bytes long.
Data: <xW (J > 78 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024A28B26530, 16 bytes long.
Data: <PW (J > 50 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024A28B26080, 16 bytes long.
Data: <(W (J > 28 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024A28B1FB60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000024A28B25D10, 16 bytes long.
Data: < W (J > 00 57 B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024A28B25700, 320 bytes long.
Data: < ] (J ` (J > 10 5D B2 28 4A 02 00 00 60 FB B1 28 4A 02 00 00
{284} normal block at 0x0000024A28B25E00, 16 bytes long.
Data: <0m (J > 30 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024A28B25DB0, 16 bytes long.
Data: < m (J > 08 6D B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024A28B1F260, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000024A28B25BD0, 16 bytes long.
Data: < l (J > E0 6C B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024A28B1F800, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000024A28B26120, 16 bytes long.
Data: <(l (J > 28 6C B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024A28B263F0, 16 bytes long.
Data: < l (J > 00 6C B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024A28B25EA0, 16 bytes long.
Data: < k (J > D8 6B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024A28B26760, 16 bytes long.
Data: < k (J > B0 6B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024A28B25E50, 16 bytes long.
Data: < k (J > 88 6B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024A28B25F40, 16 bytes long.
Data: <`k (J > 60 6B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024A28B260D0, 16 bytes long.
Data: <p; (J > 70 3B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024A28B23B70, 40 bytes long.
Data: < ` (J 8 *J > D0 60 B2 28 4A 02 00 00 A0 38 C8 2A 4A 02 00 00
{270} normal block at 0x0000024A28B25B30, 16 bytes long.
Data: <@k (J > 40 6B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024A28B25EF0, 16 bytes long.
Data: < k (J > 18 6B B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024A28B1EF60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000024A28B26490, 16 bytes long.
Data: < j (J > F0 6A B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024A28B26AF0, 992 bytes long.
Data: < d (J ` (J > 90 64 B2 28 4A 02 00 00 60 EF B1 28 4A 02 00 00
{102} normal block at 0x0000024A28B1F2C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000024A28B1DBB0, 16 bytes long.
Data: < > (J > 80 3E B2 28 4A 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000024A28B23E80, 40 bytes long.
Data: < (J (J > B0 DB B1 28 4A 02 00 00 C0 F2 B1 28 4A 02 00 00
{77} normal block at 0x0000024A28B1E150, 16 bytes long.
Data: < Z > 80 EA 5A D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000024A28B1D6B0, 16 bytes long.
Data: <@ Z > 40 E9 5A D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000024A28B1DE30, 16 bytes long.
Data: < WW > F8 57 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000024A28B1D980, 16 bytes long.
Data: < WW > D8 57 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000024A28B1DDE0, 16 bytes long.
Data: <P W > 50 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024A28B1DD90, 16 bytes long.
Data: <0 W > 30 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024A28B1DB60, 16 bytes long.
Data: < W > E0 02 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024A28B1DD40, 16 bytes long.
Data: < W > 10 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024A28B1D520, 16 bytes long.
Data: <p W > 70 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024A28B1D480, 16 bytes long.
Data: < U > 18 C0 55 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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