Task 38699963
| Name | test_571-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2046_1 |
| Workunit | 31637771 |
| Created | 6 Nov 2026, 10:19:58 UTC |
| Sent | 6 Nov 2026, 10:20:02 UTC |
| Report deadline | 11 Nov 2026, 10:20:02 UTC |
| Received | 6 Nov 2026, 12:23:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651551 |
| Run time | 38 min 25 sec |
| CPU time | 36 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,122.97 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 668.06 MB |
| Peak swap size | 3.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:17:47 (8044): wrapper (7.9.26016): starting
12:17:47 (8044): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835136} normal block at 0x00000223114AF150, 8 bytes long.
Data: < G # > 00 00 47 11 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000022313154170, 1080 bytes long.
Data: <| > 7C 12 00 00 CD CD CD CD FC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000223114B1800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:38:59 (16900): wrapper (7.9.26016): starting
12:38:59 (16900): 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
12:39:01 (16900): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:39:01 (16900): 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\17\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\17\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) : {1482} normal block at 0x0000019AB3F56F80, 8 bytes long.
Data: < > 00 00 F1 B3 9A 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000019AB3F57C70, 1080 bytes long.
Data: < 5 D > A0 35 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
12:44:08 (10776): wrapper (7.9.26016): starting
12:44:08 (10776): 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\17\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
13:20:27 (10776): C:/Windows/system32/cmd.exe exited; CPU time 2096.968750
13:20:27 (10776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 32767237 bytes.
Dumping objects ->
{1572} normal block at 0x00000205827B5000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1561} normal block at 0x00000205827B5150, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x00000205827B4F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1539} normal block at 0x00000205827B50E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x00000205827B4CF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1497} normal block at 0x000002058279F550, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1486} normal block at 0x000002058279D510, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1483} normal block at 0x00000205827B5D70, 8 bytes long.
Data: < x > 00 00 78 82 05 02 00 00
{886} normal block at 0x000002058279C350, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000205827B69F0, 8 bytes long.
Data: < j{ > B0 6A 7B 82 05 02 00 00
{295} normal block at 0x00000205827A5760, 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 0x00000205827B5EB0, 16 bytes long.
Data: < Y{ > A8 59 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000205827B5CD0, 16 bytes long.
Data: < Y{ > 80 59 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000205827B09B0, 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 0x00000205827B6450, 16 bytes long.
Data: <XY{ > 58 59 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000205827B5D20, 16 bytes long.
Data: <0Y{ > 30 59 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000205827B5E60, 16 bytes long.
Data: < Y{ > 08 59 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000205827B6900, 16 bytes long.
Data: < X{ > E0 58 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000205827B4F20, 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 0x00000205827B6720, 16 bytes long.
Data: < z > D8 89 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000205827AFFF0, 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 0x00000205827B66D0, 16 bytes long.
Data: < z > B0 89 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000205827B5BE0, 16 bytes long.
Data: < z > 88 89 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000205827B68B0, 16 bytes long.
Data: <` z > 60 89 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000205827B5FA0, 16 bytes long.
Data: <8 z > 38 89 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000205827B6310, 16 bytes long.
Data: < z > 10 89 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000205827B6090, 16 bytes long.
Data: < z > E8 88 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000205827B0950, 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 0x00000205827B6A40, 16 bytes long.
Data: < z > C0 88 7A 82 05 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000205827A88C0, 320 bytes long.
Data: <@j{ P { > 40 6A 7B 82 05 02 00 00 50 09 7B 82 05 02 00 00
{274} normal block at 0x00000205827B5C30, 16 bytes long.
Data: < X{ > C0 58 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000205827B69A0, 16 bytes long.
Data: < X{ > 98 58 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000205827B08F0, 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 0x00000205827B5B90, 16 bytes long.
Data: <pX{ > 70 58 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000205827B0110, 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 0x00000205827B6040, 16 bytes long.
Data: < W{ > B8 57 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000205827B67C0, 16 bytes long.
Data: < W{ > 90 57 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000205827B6400, 16 bytes long.
Data: <hW{ > 68 57 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000205827B6540, 16 bytes long.
Data: <@W{ > 40 57 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000205827B6950, 16 bytes long.
Data: < W{ > 18 57 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000205827AEED0, 16 bytes long.
Data: < V{ > F0 56 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000205827AFA10, 16 bytes long.
Data: < Q{ > C0 51 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000205827B51C0, 40 bytes long.
Data: < z P y > 10 FA 7A 82 05 02 00 00 50 F5 79 82 05 02 00 00
{260} normal block at 0x00000205827AEDE0, 16 bytes long.
Data: < V{ > D0 56 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000205827AF0B0, 16 bytes long.
Data: < V{ > A8 56 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000205827AFF30, 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 0x00000205827AF010, 16 bytes long.
Data: < V{ > 80 56 7B 82 05 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000205827B5680, 992 bytes long.
Data: < z 0 z > 10 F0 7A 82 05 02 00 00 30 FF 7A 82 05 02 00 00
{92} normal block at 0x00000205827B0410, 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 0x00000205827AF5B0, 16 bytes long.
Data: < y > A0 E7 79 82 05 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002058279E7A0, 40 bytes long.
Data: < z { > B0 F5 7A 82 05 02 00 00 10 04 7B 82 05 02 00 00
{69} normal block at 0x00000205827AF560, 16 bytes long.
Data: < G > 80 EA AF 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000205827AF060, 16 bytes long.
Data: <@ G > 40 E9 AF 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000205827AF830, 16 bytes long.
Data: < W G > F8 57 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000205827AF740, 16 bytes long.
Data: < W G > D8 57 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000205827AEE80, 16 bytes long.
Data: <P G > 50 04 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000205827AF8D0, 16 bytes long.
Data: <0 G > 30 04 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000205827AF510, 16 bytes long.
Data: < G > E0 02 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000205827AECA0, 16 bytes long.
Data: < G > 10 04 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000205827AF420, 16 bytes long.
Data: <p G > 70 04 AC 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000205827AEB60, 16 bytes long.
Data: < G > 18 C0 AA 47 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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