Task 38668592
| Name | test_55-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9258_0 |
| Workunit | 31611075 |
| Created | 25 Oct 2026, 12:12:22 UTC |
| Sent | 25 Oct 2026, 12:12:28 UTC |
| Report deadline | 30 Oct 2026, 12:12:28 UTC |
| Received | 25 Oct 2026, 13:05:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640448 |
| Run time | 26 min 38 sec |
| CPU time | 26 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.90 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:13:57 (8136): wrapper (7.9.26016): starting
13:13:57 (8136): 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
13:13:58 (8136): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:13:58 (8136): 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) : {3835330} normal block at 0x0000021CD7750200, 8 bytes long.
Data: < > 00 00 C5 D7 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000021CD9564FF0, 1080 bytes long.
Data: < O X > 8C 4F 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021CD7753580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:20:54 (604): wrapper (7.9.26016): starting
13:20:54 (604): 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) : {1677} normal block at 0x00000299B6CC5540, 8 bytes long.
Data: < > 00 00 C6 B6 99 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000299B6CC3FE0, 1080 bytes long.
Data: <\E H > 5C 45 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:37:51 (18420): wrapper (7.9.26016): starting
13:37:51 (18420): 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) : {1677} normal block at 0x000001BEDC934E60, 8 bytes long.
Data: < > 00 00 00 DD BE 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001BEDC933FE0, 1080 bytes long.
Data: < O H > A8 4F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:45:24 (7484): wrapper (7.9.26016): starting
13:45:24 (7484): 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) : {1677} normal block at 0x00000229459C4DC0, 8 bytes long.
Data: < E) > 00 00 EB 45 29 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000229459C3FE0, 1080 bytes long.
Data: < g , > 1C 67 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
13:49:56 (17996): wrapper (7.9.26016): starting
13:49:56 (17996): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1677} normal block at 0x00000239CCDD48C0, 8 bytes long.
Data: < 9 > 00 00 80 CE 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000239CCDD3FE0, 1080 bytes long.
Data: < H , > CC 48 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
14:03:36 (22104): wrapper (7.9.26016): starting
14:03:36 (22104): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:04:58 (22104): C:/Windows/system32/cmd.exe exited; CPU time 58.031250
14:04:58 (22104): 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: 1063178 bytes.
Dumping objects ->
{1765} normal block at 0x000001CAB10864B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1754} normal block at 0x000001CAB106EFD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1743} normal block at 0x000001CAB106EF60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1732} normal block at 0x000001CAB106C7D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1721} normal block at 0x000001CAB106D8F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1690} normal block at 0x000001CAB107DE80, 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) : {1677} normal block at 0x000001CAB10854F0, 8 bytes long.
Data: < > 00 00 03 B1 CA 01 00 00
{304} normal block at 0x000001CAB1084F00, 8 bytes long.
Data: < ? > E0 3F 08 B1 CA 01 00 00
{295} normal block at 0x000001CAB1075920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001CAB1084B90, 16 bytes long.
Data: <(Y > 28 59 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CAB1085360, 16 bytes long.
Data: < Y > 00 59 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CAB107FCC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001CAB1084DC0, 16 bytes long.
Data: < X > D8 58 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CAB10854A0, 16 bytes long.
Data: < X > B0 58 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CAB1084CD0, 16 bytes long.
Data: < X > 88 58 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CAB1084960, 16 bytes long.
Data: <`X > 60 58 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CAB106D960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001CAB1084E60, 16 bytes long.
Data: < > C8 F3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CAB107F0C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001CAB1085220, 16 bytes long.
Data: < > A0 F3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CAB10846E0, 16 bytes long.
Data: <x > 78 F3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CAB10849B0, 16 bytes long.
Data: <P > 50 F3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CAB10851D0, 16 bytes long.
Data: <( > 28 F3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CAB10852C0, 16 bytes long.
Data: < > 00 F3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CAB10848C0, 16 bytes long.
Data: < > D8 F2 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CAB107F9C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001CAB1084C80, 16 bytes long.
Data: < > B0 F2 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CAB106F2B0, 320 bytes long.
Data: < L > 80 4C 08 B1 CA 01 00 00 C0 F9 07 B1 CA 01 00 00
{274} normal block at 0x000001CAB1084B40, 16 bytes long.
Data: <@X > 40 58 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CAB1085310, 16 bytes long.
Data: < X > 18 58 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CAB107F780, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001CAB1085540, 16 bytes long.
Data: < W > F0 57 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CAB107F2A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001CAB1085180, 16 bytes long.
Data: <8W > 38 57 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CAB1085270, 16 bytes long.
Data: < W > 10 57 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CAB1084690, 16 bytes long.
Data: < V > E8 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CAB1084EB0, 16 bytes long.
Data: < V > C0 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CAB1084FA0, 16 bytes long.
Data: < V > 98 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CAB1085090, 16 bytes long.
Data: <pV > 70 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CAB1085040, 16 bytes long.
Data: <` > 60 C7 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CAB106C760, 40 bytes long.
Data: <@P > 40 50 08 B1 CA 01 00 00 80 DE 07 B1 CA 01 00 00
{260} normal block at 0x000001CAB1085130, 16 bytes long.
Data: <PV > 50 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CAB1084C30, 16 bytes long.
Data: <(V > 28 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CAB107F120, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001CAB1084E10, 16 bytes long.
Data: < V > 00 56 08 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CAB1085600, 992 bytes long.
Data: < N > 10 4E 08 B1 CA 01 00 00 20 F1 07 B1 CA 01 00 00
{92} normal block at 0x000001CAB107F8A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001CAB107E140, 16 bytes long.
Data: < > 20 D3 06 B1 CA 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001CAB106D320, 40 bytes long.
Data: <@ > 40 E1 07 B1 CA 01 00 00 A0 F8 07 B1 CA 01 00 00
{69} normal block at 0x000001CAB107EAA0, 16 bytes long.
Data: < 8 > 80 EA 38 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CAB107EBE0, 16 bytes long.
Data: <@ 8 > 40 E9 38 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CAB107E7D0, 16 bytes long.
Data: < W5 > F8 57 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CAB107E690, 16 bytes long.
Data: < W5 > D8 57 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CAB107E050, 16 bytes long.
Data: <P 5 > 50 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CAB107E320, 16 bytes long.
Data: <0 5 > 30 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CAB107EFA0, 16 bytes long.
Data: < 5 > E0 02 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CAB107ED20, 16 bytes long.
Data: < 5 > 10 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CAB107E730, 16 bytes long.
Data: <p 5 > 70 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CAB107EA50, 16 bytes long.
Data: < 3 > 18 C0 33 04 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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