Task 38675757
| Name | test_234-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND0676_0 |
| Workunit | 31617711 |
| Created | 26 Oct 2026, 9:12:57 UTC |
| Sent | 26 Oct 2026, 9:13:02 UTC |
| Report deadline | 31 Oct 2026, 9:13:02 UTC |
| Received | 26 Oct 2026, 9:45:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651810 |
| Run time | 18 min 1 sec |
| CPU time | 17 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.11 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:14:22 (21164): wrapper (7.9.26016): starting
10:14:22 (21164): 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
10:14:23 (21164): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:14:23 (21164): 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\1\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\1\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) : {3835159} normal block at 0x000001F0E813DC60, 8 bytes long.
Data: < > 00 00 CC E9 F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000001F0E9DB5200, 1080 bytes long.
Data: <ds > 64 73 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F0E81424D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:33:52 (14124): wrapper (7.9.26016): starting
10:33:52 (14124): 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\1\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
10:45:23 (14124): C:/Windows/system32/cmd.exe exited; CPU time 690.656250
10:45:23 (14124): 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: 12081562 bytes.
Dumping objects ->
{1590} normal block at 0x0000028947EF2F80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1579} normal block at 0x0000028947EF2B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1568} normal block at 0x0000028947EF2F10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1557} normal block at 0x0000028947EF2EA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1546} normal block at 0x0000028947EF2E30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1515} normal block at 0x0000028947EF8CF0, 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) : {1502} normal block at 0x0000028947EF95A0, 8 bytes long.
Data: < NH > 00 00 4E 48 89 02 00 00
{308} normal block at 0x0000028947EF94B0, 8 bytes long.
Data: <p G > 70 88 EF 47 89 02 00 00
{299} normal block at 0x0000028947EE2E20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000028947EF9780, 16 bytes long.
Data: < G > B8 A0 EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000028947EF9AA0, 16 bytes long.
Data: < G > 90 A0 EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028947EF3800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000028947EF9B40, 16 bytes long.
Data: <h G > 68 A0 EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028947EF9C80, 16 bytes long.
Data: <@ G > 40 A0 EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028947EF9280, 16 bytes long.
Data: < G > 18 A0 EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028947EF9320, 16 bytes long.
Data: < G > F0 9F EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028947EF30D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000028947EF9960, 16 bytes long.
Data: < G > 18 BD ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028947EF32C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000028947EF90A0, 16 bytes long.
Data: < G > F0 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028947EF9000, 16 bytes long.
Data: < G > C8 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028947EF90F0, 16 bytes long.
Data: < G > A0 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028947EF97D0, 16 bytes long.
Data: <x G > 78 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028947EF8FB0, 16 bytes long.
Data: <P G > 50 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028947EF99B0, 16 bytes long.
Data: <( G > 28 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028947EF39E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000028947EF9410, 16 bytes long.
Data: < G > 00 BC ED 47 89 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028947EDBC00, 320 bytes long.
Data: < G 9 G > 10 94 EF 47 89 02 00 00 E0 39 EF 47 89 02 00 00
{278} normal block at 0x0000028947EF9230, 16 bytes long.
Data: < G > D0 9F EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028947EF9C30, 16 bytes long.
Data: < G > A8 9F EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028947EF3B00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000028947EF9910, 16 bytes long.
Data: < G > 80 9F EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028947EF3AA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000028947EF93C0, 16 bytes long.
Data: < G > C8 9E EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028947EF98C0, 16 bytes long.
Data: < G > A0 9E EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028947EF9500, 16 bytes long.
Data: <x G > 78 9E EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028947EF9A00, 16 bytes long.
Data: <P G > 50 9E EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028947EF9A50, 16 bytes long.
Data: <( G > 28 9E EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028947EF9460, 16 bytes long.
Data: < G > 00 9E EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028947EF8E20, 16 bytes long.
Data: <p, G > 70 2C EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028947EF2C70, 40 bytes long.
Data: < G G > 20 8E EF 47 89 02 00 00 F0 8C EF 47 89 02 00 00
{264} normal block at 0x0000028947EF8DD0, 16 bytes long.
Data: < G > E0 9D EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028947EF8F60, 16 bytes long.
Data: < G > B8 9D EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028947EF3FE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000028947EF9640, 16 bytes long.
Data: < G > 90 9D EF 47 89 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028947EF9D90, 992 bytes long.
Data: <@ G ? G > 40 96 EF 47 89 02 00 00 E0 3F EF 47 89 02 00 00
{96} normal block at 0x0000028947EF3B60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000028947EF1170, 16 bytes long.
Data: < ! G > 90 21 EE 47 89 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000028947EE2190, 40 bytes long.
Data: <p G `; G > 70 11 EF 47 89 02 00 00 60 3B EF 47 89 02 00 00
{73} normal block at 0x0000028947EF1800, 16 bytes long.
Data: < > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000028947EF1760, 16 bytes long.
Data: <@ > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028947EF17B0, 16 bytes long.
Data: < W > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028947EF1C60, 16 bytes long.
Data: < W > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028947EF11C0, 16 bytes long.
Data: <P > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028947EF1AD0, 16 bytes long.
Data: <0 > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028947EF1A80, 16 bytes long.
Data: < > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028947EF1120, 16 bytes long.
Data: < > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028947EF1850, 16 bytes long.
Data: <p > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028947EF19E0, 16 bytes long.
Data: < > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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