Task 38657367
| Name | test_930-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8002_0 |
| Workunit | 31601022 |
| Created | 24 Oct 2026, 11:35:21 UTC |
| Sent | 24 Oct 2026, 11:38:46 UTC |
| Report deadline | 29 Oct 2026, 11:38:46 UTC |
| Received | 25 Oct 2026, 10:41:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647482 |
| Run time | 26 min 23 sec |
| CPU time | 23 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 37,850.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.29 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:44:02 (34316): wrapper (7.9.26016): starting
13:44:02 (34316): 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
13:44:04 (34316): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:44:04 (34316): 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) : {3835109} normal block at 0x00000242D9BE0190, 8 bytes long.
Data: < B > 00 00 FA D9 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x00000242DB8737D0, 1080 bytes long.
Data: <p > 70 1C 00 00 CD CD CD CD 80 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000242D9BD5F10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:54:16 (18956): wrapper (7.9.26016): starting
15:54:16 (18956): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000002227EF667F0, 8 bytes long.
Data: < ~" > 00 00 EF 7E 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002227EF67A40, 1080 bytes long.
Data: <hK T > 68 4B 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
11:29:25 (3876): wrapper (7.9.26016): starting
11:29:25 (3876): 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
11:40:40 (3876): C:/Windows/system32/cmd.exe exited; CPU time 615.406250
11:40:40 (3876): 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: 10384722 bytes.
Dumping objects ->
{1542} normal block at 0x00000178CB0C4A70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x00000178CB0C4BC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x00000178CB0C4760, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x00000178CB0C4AE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x00000178CB0C46F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x00000178CB0BA0E0, 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) : {1454} normal block at 0x00000178CB0C5590, 8 bytes long.
Data: < M x > 00 00 4D CB 78 01 00 00
{306} normal block at 0x00000178CB0C6030, 8 bytes long.
Data: <0h x > 30 68 0C CB 78 01 00 00
{297} normal block at 0x00000178CB0B74D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000178CB0C5B30, 16 bytes long.
Data: <8g x > 38 67 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000178CB0C6260, 16 bytes long.
Data: < g x > 10 67 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000178CB0C0930, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000178CB0C6170, 16 bytes long.
Data: < f x > E8 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000178CB0C5A90, 16 bytes long.
Data: < f x > C0 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000178CB0C5EA0, 16 bytes long.
Data: < f x > 98 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000178CB0C5900, 16 bytes long.
Data: <pf x > 70 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000178CB0C4B50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000178CB0C5680, 16 bytes long.
Data: < x > C8 FD 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000178CB0C1050, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000178CB0C5630, 16 bytes long.
Data: < x > A0 FD 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000178CB0C5AE0, 16 bytes long.
Data: <x x > 78 FD 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000178CB0C5C70, 16 bytes long.
Data: <P x > 50 FD 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000178CB0C58B0, 16 bytes long.
Data: <( x > 28 FD 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000178CB0C5D10, 16 bytes long.
Data: < x > 00 FD 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000178CB0C6210, 16 bytes long.
Data: < x > D8 FC 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000178CB0C0750, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000178CB0C57C0, 16 bytes long.
Data: < x > B0 FC 0A CB 78 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000178CB0AFCB0, 320 bytes long.
Data: < W x P x > C0 57 0C CB 78 01 00 00 50 07 0C CB 78 01 00 00
{276} normal block at 0x00000178CB0C54F0, 16 bytes long.
Data: <Pf x > 50 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000178CB0C61C0, 16 bytes long.
Data: <(f x > 28 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000178CB0C09F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000178CB0C59A0, 16 bytes long.
Data: < f x > 00 66 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000178CB0C0AB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000178CB0C62B0, 16 bytes long.
Data: <He x > 48 65 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000178CB0C5E50, 16 bytes long.
Data: < e x > 20 65 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000178CB0C5A40, 16 bytes long.
Data: < d x > F8 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000178CB0C5950, 16 bytes long.
Data: < d x > D0 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000178CB0C6120, 16 bytes long.
Data: < d x > A8 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000178CB0C5E00, 16 bytes long.
Data: < d x > 80 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000178CB0C60D0, 16 bytes long.
Data: <0L x > 30 4C 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000178CB0C4C30, 40 bytes long.
Data: < ` x x > D0 60 0C CB 78 01 00 00 E0 A0 0B CB 78 01 00 00
{262} normal block at 0x00000178CB0C5CC0, 16 bytes long.
Data: <`d x > 60 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000178CB0C54A0, 16 bytes long.
Data: <8d x > 38 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000178CB0C1230, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000178CB0C5DB0, 16 bytes long.
Data: < d x > 10 64 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000178CB0C6410, 992 bytes long.
Data: < ] x 0 x > B0 5D 0C CB 78 01 00 00 30 12 0C CB 78 01 00 00
{94} normal block at 0x00000178CB0C0FF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000178CB0C0180, 16 bytes long.
Data: < I x > 90 49 0C CB 78 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000178CB0C4990, 40 bytes long.
Data: < x x > 80 01 0C CB 78 01 00 00 F0 0F 0C CB 78 01 00 00
{71} normal block at 0x00000178CB0BFC80, 16 bytes long.
Data: < iv > 80 EA 69 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000178CB0BF870, 16 bytes long.
Data: <@ iv > 40 E9 69 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000178CB0BF820, 16 bytes long.
Data: < Wfv > F8 57 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000178CB0C0270, 16 bytes long.
Data: < Wfv > D8 57 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000178CB0BF780, 16 bytes long.
Data: <P fv > 50 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000178CB0C04A0, 16 bytes long.
Data: <0 fv > 30 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000178CB0BFE10, 16 bytes long.
Data: < fv > E0 02 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000178CB0C03B0, 16 bytes long.
Data: < fv > 10 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000178CB0BFC30, 16 bytes long.
Data: <p fv > 70 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000178CB0BF730, 16 bytes long.
Data: < dv > 18 C0 64 76 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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