Task 38660595
| Name | test_932-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND1145_0 |
| Workunit | 31604090 |
| Created | 24 Oct 2026, 14:26:05 UTC |
| Sent | 24 Oct 2026, 14:34:34 UTC |
| Report deadline | 29 Oct 2026, 14:34:34 UTC |
| Received | 24 Oct 2026, 21:22:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613320 |
| Run time | 21 min 29 sec |
| CPU time | 19 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 50,491.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.73 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:56:23 (6004): wrapper (7.9.26016): starting
18:56:23 (6004): 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
18:56:24 (6004): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:56:24 (6004): 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) : {3835410} normal block at 0x000001E4D45EDF60, 8 bytes long.
Data: < > 00 00 B4 D4 E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001E4D64D4560, 1080 bytes long.
Data: < G > 14 47 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E4D45F1AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:48:41 (19768): wrapper (7.9.26016): starting
19:48:41 (19768): 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
19:54:05 (19768): C:/Windows/system32/cmd.exe exited; CPU time 302.890625
19:54:05 (19768): 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: 5222210 bytes.
Dumping objects ->
{1842} normal block at 0x0000021C457769D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1831} normal block at 0x0000021C457763B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1820} normal block at 0x0000021C45776650, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1809} normal block at 0x0000021C45776500, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1798} normal block at 0x0000021C45776490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1767} normal block at 0x0000021C4575F1C0, 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) : {1754} normal block at 0x0000021C45775090, 8 bytes long.
Data: < E > 00 00 CB 45 1C 02 00 00
{307} normal block at 0x0000021C45774C30, 8 bytes long.
Data: < jwE > 90 6A 77 45 1C 02 00 00
{298} normal block at 0x0000021C45766920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000021C45774E10, 16 bytes long.
Data: < awE > 88 61 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021C45774C80, 16 bytes long.
Data: <`awE > 60 61 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021C4576F890, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000021C45775540, 16 bytes long.
Data: <8awE > 38 61 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021C45775270, 16 bytes long.
Data: < awE > 10 61 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021C45775720, 16 bytes long.
Data: < `wE > E8 60 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021C457758B0, 16 bytes long.
Data: < `wE > C0 60 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021C45776810, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000021C45775220, 16 bytes long.
Data: < uE > E8 B7 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021C4576F530, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000021C45774F50, 16 bytes long.
Data: < uE > C0 B7 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021C457751D0, 16 bytes long.
Data: < uE > 98 B7 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021C45774E60, 16 bytes long.
Data: <p uE > 70 B7 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021C45774CD0, 16 bytes long.
Data: <H uE > 48 B7 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021C45775450, 16 bytes long.
Data: < uE > 20 B7 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021C457756D0, 16 bytes long.
Data: < uE > F8 B6 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021C4576F7D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000021C45775810, 16 bytes long.
Data: < uE > D0 B6 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021C4575B6D0, 320 bytes long.
Data: < XwE vE > 10 58 77 45 1C 02 00 00 D0 F7 76 45 1C 02 00 00
{277} normal block at 0x0000021C45774F00, 16 bytes long.
Data: < `wE > A0 60 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021C45775950, 16 bytes long.
Data: <x`wE > 78 60 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021C4576FCB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000021C457750E0, 16 bytes long.
Data: <P`wE > 50 60 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021C4576FD70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000021C457753B0, 16 bytes long.
Data: < _wE > 98 5F 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021C45774D70, 16 bytes long.
Data: <p_wE > 70 5F 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021C45774BE0, 16 bytes long.
Data: <H_wE > 48 5F 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021C45774FF0, 16 bytes long.
Data: < _wE > 20 5F 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021C457754F0, 16 bytes long.
Data: < ^wE > F8 5E 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021C45775040, 16 bytes long.
Data: < ^wE > D0 5E 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021C45775860, 16 bytes long.
Data: < uE > 80 DE 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021C4575DE80, 40 bytes long.
Data: <`XwE uE > 60 58 77 45 1C 02 00 00 C0 F1 75 45 1C 02 00 00
{263} normal block at 0x0000021C45775310, 16 bytes long.
Data: < ^wE > B0 5E 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021C45774EB0, 16 bytes long.
Data: < ^wE > 88 5E 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021C4576F650, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000021C45774FA0, 16 bytes long.
Data: <`^wE > 60 5E 77 45 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021C45775E60, 992 bytes long.
Data: < OwE P vE > A0 4F 77 45 1C 02 00 00 50 F6 76 45 1C 02 00 00
{95} normal block at 0x0000021C4576F5F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000021C4576D430, 16 bytes long.
Data: < uE > F0 EC 75 45 1C 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000021C4575ECF0, 40 bytes long.
Data: <0 vE vE > 30 D4 76 45 1C 02 00 00 F0 F5 76 45 1C 02 00 00
{72} normal block at 0x0000021C4576D6B0, 16 bytes long.
Data: < r > 80 EA 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021C4576D570, 16 bytes long.
Data: <@ r > 40 E9 72 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021C4576E150, 16 bytes long.
Data: < Wo > F8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021C4576D5C0, 16 bytes long.
Data: < Wo > D8 57 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021C4576DE80, 16 bytes long.
Data: <P o > 50 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021C4576D390, 16 bytes long.
Data: <0 o > 30 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021C4576DAC0, 16 bytes long.
Data: < o > E0 02 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021C4576DDE0, 16 bytes long.
Data: < o > 10 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021C4576D520, 16 bytes long.
Data: <p o > 70 04 6F B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021C4576DD40, 16 bytes long.
Data: < m > 18 C0 6D B0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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