Task 38645597
| Name | test_224-GPUGRID_TEST_ATM_500_20261023-0-1-RND2308_0 |
| Workunit | 31590561 |
| Created | 23 Oct 2026, 16:07:58 UTC |
| Sent | 23 Oct 2026, 16:18:18 UTC |
| Report deadline | 28 Oct 2026, 16:18:18 UTC |
| Received | 23 Oct 2026, 18:30:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 49 min 51 sec |
| CPU time | 49 min 51 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.82 GB |
| Peak swap size | 3.74 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:23:18 (12184): wrapper (7.9.26016): starting
12:23:18 (12184): 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
12:23:39 (12184): Library/usr/bin/tar.exe exited; CPU time 0.171875
12:23:39 (12184): 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\8\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\8\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) : {3835103} normal block at 0x000001EF0525C7F0, 8 bytes long.
Data: < > 00 00 C8 06 EF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001EF0524F210, 1080 bytes long.
Data: <hF | > 68 46 00 00 CD CD CD CD 7C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EF05265C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:57:49 (8628): wrapper (7.9.26016): starting
12:57:49 (8628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
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
13:29:50 (8628): C:/Windows/system32/cmd.exe exited; CPU time 1765.640625
13:29:50 (8628): 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: 36561200 bytes.
Dumping objects ->
{1541} normal block at 0x00000283F9E70AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x00000283F9E709D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x00000283F9E70960, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x00000283F9E70880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x00000283F9E70570, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x00000283F9E56A30, 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) : {1453} normal block at 0x00000283F9E74DE0, 8 bytes long.
Data: < z > 00 00 7A FB 83 02 00 00
{301} normal block at 0x00000283F9E75740, 8 bytes long.
Data: < ^ > F0 5E E7 F9 83 02 00 00
{292} normal block at 0x00000283F9E5B380, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000283F9E74BB0, 16 bytes long.
Data: < ] > F8 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000283F9E756A0, 16 bytes long.
Data: < ] > D0 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000283F9E6EAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000283F9E751F0, 16 bytes long.
Data: < ] > A8 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000283F9E75790, 16 bytes long.
Data: < ] > 80 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000283F9E74CA0, 16 bytes long.
Data: <X] > 58 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000283F9E751A0, 16 bytes long.
Data: <0] > 30 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000283F9E707A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000283F9E74F70, 16 bytes long.
Data: <X > 58 FC E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000283F9E6DFA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000283F9E75600, 16 bytes long.
Data: <0 > 30 FC E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000283F9E74E80, 16 bytes long.
Data: < > 08 FC E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000283F9E74D90, 16 bytes long.
Data: < > E0 FB E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000283F9E755B0, 16 bytes long.
Data: < > B8 FB E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000283F9E75510, 16 bytes long.
Data: < > 90 FB E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000283F9E75150, 16 bytes long.
Data: <h > 68 FB E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000283F9E6EBA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000283F9E75970, 16 bytes long.
Data: <@ > 40 FB E5 F9 83 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000283F9E5FB40, 320 bytes long.
Data: <pY > 70 59 E7 F9 83 02 00 00 A0 EB E6 F9 83 02 00 00
{271} normal block at 0x00000283F9E74F20, 16 bytes long.
Data: < ] > 10 5D E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000283F9E754C0, 16 bytes long.
Data: < \ > E8 5C E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000283F9E6EC60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000283F9E75100, 16 bytes long.
Data: < \ > C0 5C E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000283F9E6E1E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000283F9E750B0, 16 bytes long.
Data: < \ > 08 5C E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000283F9E74FC0, 16 bytes long.
Data: < [ > E0 5B E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000283F9E75060, 16 bytes long.
Data: < [ > B8 5B E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000283F9E75920, 16 bytes long.
Data: < [ > 90 5B E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000283F9E75420, 16 bytes long.
Data: <h[ > 68 5B E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000283F9E756F0, 16 bytes long.
Data: <@[ > 40 5B E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000283F9E758D0, 16 bytes long.
Data: < > F0 08 E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000283F9E708F0, 40 bytes long.
Data: < X 0j > D0 58 E7 F9 83 02 00 00 30 6A E5 F9 83 02 00 00
{257} normal block at 0x00000283F9E74ED0, 16 bytes long.
Data: < [ > 20 5B E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000283F9E753D0, 16 bytes long.
Data: < Z > F8 5A E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000283F9E6E120, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000283F9E75830, 16 bytes long.
Data: < Z > D0 5A E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000283F9E75AD0, 992 bytes long.
Data: <0X > 30 58 E7 F9 83 02 00 00 20 E1 E6 F9 83 02 00 00
{89} normal block at 0x00000283F9E6E240, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000283F9E69F10, 16 bytes long.
Data: <0 > 30 07 E7 F9 83 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000283F9E70730, 40 bytes long.
Data: < @ > 10 9F E6 F9 83 02 00 00 40 E2 E6 F9 83 02 00 00
{66} normal block at 0x00000283F9E69E70, 16 bytes long.
Data: < q > 80 EA A3 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000283F9E69240, 16 bytes long.
Data: <@ q > 40 E9 A3 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000283F9E69D80, 16 bytes long.
Data: < W q > F8 57 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000283F9E69D30, 16 bytes long.
Data: < W q > D8 57 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000283F9E69CE0, 16 bytes long.
Data: <P q > 50 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000283F9E69970, 16 bytes long.
Data: <0 q > 30 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000283F9E69290, 16 bytes long.
Data: < q > E0 02 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000283F9E69C90, 16 bytes long.
Data: < q > 10 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000283F9E69B00, 16 bytes long.
Data: <p q > 70 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000283F9E699C0, 16 bytes long.
Data: < q > 18 C0 9E 71 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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