Task 38694218
| Name | test_787-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1956_0 |
| Workunit | 31634981 |
| Created | 30 Oct 2026, 19:37:23 UTC |
| Sent | 30 Oct 2026, 19:37:25 UTC |
| Report deadline | 4 Nov 2026, 19:37:25 UTC |
| Received | 1 Nov 2026, 18:00:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642404 |
| Run time | 28 min 52 sec |
| CPU time | 27 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 18,251.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.43 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:38:23 (44128): wrapper (7.9.26016): starting
20:38:23 (44128): 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
20:38:24 (44128): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:38:24 (44128): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835495} normal block at 0x00000226B03CFAD0, 8 bytes long.
Data: < : & > 00 00 3A B0 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833978} normal block at 0x00000226B2136620, 1080 bytes long.
Data: < > C4 C0 00 00 CD CD CD CD 20 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x00000226B03D3540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:31:39 (8816): wrapper (7.9.26016): starting
15:31:39 (8816): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1831} normal block at 0x000002AF063C9A70, 8 bytes long.
Data: < 5 > 00 00 35 06 AF 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002AF063CA860, 1080 bytes long.
Data: <TT > 54 54 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
16:01:07 (28204): wrapper (7.9.26016): starting
16:01:07 (28204): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1831} normal block at 0x0000021277958660, 8 bytes long.
Data: < w > 00 00 91 77 12 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000021277959270, 1080 bytes long.
Data: < ( > FC C2 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
16:20:28 (20604): wrapper (7.9.26016): starting
16:20:28 (20604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1831} normal block at 0x0000019A5DB88430, 8 bytes long.
Data: < ] > 00 00 B0 5D 9A 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000019A5DB89540, 1080 bytes long.
Data: < X > D8 89 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
17:17:24 (19112): wrapper (7.9.26016): starting
17:17:24 (19112): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1831} normal block at 0x00000247F4C47CC0, 8 bytes long.
Data: < G > 00 00 04 F5 47 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000247F4C48BA0, 1080 bytes long.
Data: < ; < > 1C 3B 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
Object dump complete.
17:52:56 (23976): wrapper (7.9.26016): starting
17:52:56 (23976): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
18:30:57 (7088): wrapper (7.9.26016): starting
18:30:57 (7088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1829} normal block at 0x000001F48BFF79C0, 8 bytes long.
Data: < > 00 00 F9 8B F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x000001F48BFF7220, 1080 bytes long.
Data: < m D > A8 6D 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
18:41:01 (15380): wrapper (7.9.26016): starting
18:41:01 (15380): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
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: Exiting with failure status due to previous errors
18:59:51 (15380): C:/Windows/system32/cmd.exe exited; CPU time 1127.515625
18:59:51 (15380): 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: 24011276 bytes.
Dumping objects ->
{1917} normal block at 0x0000022B9E2A6B50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1906} normal block at 0x0000022B9E2A7090, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1895} normal block at 0x0000022B9E2A6AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1884} normal block at 0x0000022B9E2A6A70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1873} normal block at 0x0000022B9E2A6CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1842} normal block at 0x0000022B9E2A84E0, 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) : {1829} normal block at 0x0000022B9E2A9410, 8 bytes long.
Data: < ' + > 00 00 27 9E 2B 02 00 00
{313} normal block at 0x0000022B9E2A85B0, 8 bytes long.
Data: < * + > 90 99 2A 9E 2B 02 00 00
{304} normal block at 0x0000022B9E298D90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000022B9E2A9320, 16 bytes long.
Data: < * + > 98 98 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000022B9E2A8CE0, 16 bytes long.
Data: <p * + > 70 98 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000022B9E2A0D30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000022B9E2A91E0, 16 bytes long.
Data: <H * + > 48 98 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022B9E2A8EC0, 16 bytes long.
Data: < * + > 20 98 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022B9E2A8E70, 16 bytes long.
Data: < * + > F8 97 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022B9E2A8C90, 16 bytes long.
Data: < * + > D0 97 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022B9E2A6C30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000022B9E2A92D0, 16 bytes long.
Data: < * + > 18 83 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022B9E2A0490, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000022B9E2A8BF0, 16 bytes long.
Data: < * + > F0 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022B9E2A9460, 16 bytes long.
Data: < * + > C8 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022B9E2A90A0, 16 bytes long.
Data: < * + > A0 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022B9E2A87E0, 16 bytes long.
Data: <x * + > 78 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022B9E2A8970, 16 bytes long.
Data: <P * + > 50 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022B9E2A8BA0, 16 bytes long.
Data: <( * + > 28 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022B9E2A0CD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000022B9E2A8920, 16 bytes long.
Data: < * + > 00 82 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022B9E2A8200, 320 bytes long.
Data: < * + * + > 20 89 2A 9E 2B 02 00 00 D0 0C 2A 9E 2B 02 00 00
{283} normal block at 0x0000022B9E2A8C40, 16 bytes long.
Data: < * + > B0 97 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022B9E2A88D0, 16 bytes long.
Data: < * + > 88 97 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022B9E2A07F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000022B9E2A8B50, 16 bytes long.
Data: <` * + > 60 97 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022B9E2A0A90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000022B9E2A8830, 16 bytes long.
Data: < * + > A8 96 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022B9E2A9000, 16 bytes long.
Data: < * + > 80 96 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022B9E2A8AB0, 16 bytes long.
Data: <X * + > 58 96 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022B9E2A8F10, 16 bytes long.
Data: <0 * + > 30 96 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022B9E2A90F0, 16 bytes long.
Data: < * + > 08 96 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022B9E2A8A10, 16 bytes long.
Data: < * + > E0 95 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022B9E2A8D30, 16 bytes long.
Data: < m* + > 80 6D 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022B9E2A6D80, 40 bytes long.
Data: <0 * + * + > 30 8D 2A 9E 2B 02 00 00 E0 84 2A 9E 2B 02 00 00
{269} normal block at 0x0000022B9E2A9230, 16 bytes long.
Data: < * + > C0 95 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022B9E2A93C0, 16 bytes long.
Data: < * + > 98 95 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022B9E2A06D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000022B9E2A8B00, 16 bytes long.
Data: <p * + > 70 95 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022B9E2A9570, 992 bytes long.
Data: < * + * + > 00 8B 2A 9E 2B 02 00 00 D0 06 2A 9E 2B 02 00 00
{101} normal block at 0x0000022B9E2A0370, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000022B9E2A3980, 16 bytes long.
Data: < j* + > 00 6A 2A 9E 2B 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000022B9E2A6A00, 40 bytes long.
Data: < 9* + p * + > 80 39 2A 9E 2B 02 00 00 70 03 2A 9E 2B 02 00 00
{78} normal block at 0x0000022B9E2A2CB0, 16 bytes long.
Data: < > 80 EA 8A 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000022B9E2A34D0, 16 bytes long.
Data: <@ > 40 E9 8A 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000022B9E2A2F80, 16 bytes long.
Data: < W > F8 57 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000022B9E2A3480, 16 bytes long.
Data: < W > D8 57 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000022B9E2A3570, 16 bytes long.
Data: <P > 50 04 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022B9E2A2EE0, 16 bytes long.
Data: <0 > 30 04 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022B9E2A37A0, 16 bytes long.
Data: < > E0 02 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022B9E2A31B0, 16 bytes long.
Data: < > 10 04 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022B9E2A2E90, 16 bytes long.
Data: <p > 70 04 87 90 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022B9E2A36B0, 16 bytes long.
Data: < > 18 C0 85 90 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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