Task 38699474
| Name | test_472-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8894_0 |
| Workunit | 31639872 |
| Created | 4 Nov 2026, 10:16:30 UTC |
| Sent | 4 Nov 2026, 10:16:32 UTC |
| Report deadline | 9 Nov 2026, 10:16:32 UTC |
| Received | 6 Nov 2026, 8:53:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 485535 |
| Run time | 1 hours 4 min 55 sec |
| CPU time | 55 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 677.31 MB |
| Peak swap size | 2.38 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:29:04 (8848): wrapper (7.9.26016): starting
13:29:04 (8848): 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
13:29:09 (8848): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:29:09 (8848): 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) : {3835328} normal block at 0x000001E3824671D0, 8 bytes long.
Data: < > 00 00 E5 83 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000001E3840D62A0, 1080 bytes long.
Data: < p > C8 01 00 00 CD CD CD CD 70 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E382471160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:10:04 (22196): wrapper (7.9.26016): starting
09:10:04 (22196): 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
09:51:54 (22196): C:/Windows/system32/cmd.exe exited; CPU time 2232.906250
09:51:54 (22196): 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: 34220448 bytes.
Dumping objects ->
{1767} normal block at 0x000001A9DB8AB2B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1756} normal block at 0x000001A9DB8AAC90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1745} normal block at 0x000001A9DB8AB1D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1734} normal block at 0x000001A9DB8AAD70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1723} normal block at 0x000001A9DB8AB160, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1692} normal block at 0x000001A9DB896320, 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) : {1679} normal block at 0x000001A9DB8B23A0, 8 bytes long.
Data: < > 00 00 16 DD A9 01 00 00
{300} normal block at 0x000001A9DB8B1F90, 8 bytes long.
Data: <`3 > 60 33 8B DB A9 01 00 00
{291} normal block at 0x000001A9DB895C70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001A9DB8B1CC0, 16 bytes long.
Data: <h2 > 68 32 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A9DB8B2800, 16 bytes long.
Data: <@2 > 40 32 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A9DB8ACAB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001A9DB8B2670, 16 bytes long.
Data: < 2 > 18 32 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A9DB8B2530, 16 bytes long.
Data: < 1 > F0 31 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A9DB8B23F0, 16 bytes long.
Data: < 1 > C8 31 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A9DB8B1C70, 16 bytes long.
Data: < 1 > A0 31 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A9DB8AB240, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001A9DB8B2350, 16 bytes long.
Data: < \ > 08 5C 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A9DB8ACE10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001A9DB8B27B0, 16 bytes long.
Data: < [ > E0 5B 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A9DB8B2940, 16 bytes long.
Data: < [ > B8 5B 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A9DB8B2620, 16 bytes long.
Data: < [ > 90 5B 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A9DB8B2490, 16 bytes long.
Data: <h[ > 68 5B 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A9DB8B2710, 16 bytes long.
Data: <@[ > 40 5B 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A9DB8B1C20, 16 bytes long.
Data: < [ > 18 5B 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A9DB8AC690, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001A9DB8B22B0, 16 bytes long.
Data: < Z > F0 5A 89 DB A9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A9DB895AF0, 320 bytes long.
Data: < " > B0 22 8B DB A9 01 00 00 90 C6 8A DB A9 01 00 00
{270} normal block at 0x000001A9DB8B1FE0, 16 bytes long.
Data: < 1 > 80 31 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A9DB8B2260, 16 bytes long.
Data: <X1 > 58 31 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A9DB8ACED0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001A9DB8B1F40, 16 bytes long.
Data: <01 > 30 31 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A9DB8ACDB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001A9DB8B2850, 16 bytes long.
Data: <x0 > 78 30 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A9DB8B2440, 16 bytes long.
Data: <P0 > 50 30 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A9DB8B21C0, 16 bytes long.
Data: <(0 > 28 30 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A9DB8B2760, 16 bytes long.
Data: < 0 > 00 30 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A9DB8B26C0, 16 bytes long.
Data: < / > D8 2F 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A9DB8B2580, 16 bytes long.
Data: < / > B0 2F 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A9DB8B2300, 16 bytes long.
Data: <0 > 30 AF 8A DB A9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A9DB8AAF30, 40 bytes long.
Data: < # c > 00 23 8B DB A9 01 00 00 20 63 89 DB A9 01 00 00
{256} normal block at 0x000001A9DB8B2170, 16 bytes long.
Data: < / > 90 2F 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A9DB8B24E0, 16 bytes long.
Data: <h/ > 68 2F 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001A9DB8AC990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001A9DB8B2120, 16 bytes long.
Data: <@/ > 40 2F 8B DB A9 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001A9DB8B2F40, 992 bytes long.
Data: < ! > 20 21 8B DB A9 01 00 00 90 C9 8A DB A9 01 00 00
{88} normal block at 0x000001A9DB8ACB70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001A9DB8A6D80, 16 bytes long.
Data: < > C0 AE 8A DB A9 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001A9DB8AAEC0, 40 bytes long.
Data: < m p > 80 6D 8A DB A9 01 00 00 70 CB 8A DB A9 01 00 00
{65} normal block at 0x000001A9DB8A69C0, 16 bytes long.
Data: < P > 80 EA CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A9DB8A6380, 16 bytes long.
Data: <@ P > 40 E9 CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A9DB8A6EC0, 16 bytes long.
Data: < W P > F8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A9DB8A6600, 16 bytes long.
Data: < W P > D8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A9DB8A6D30, 16 bytes long.
Data: <P P > 50 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A9DB8A6100, 16 bytes long.
Data: <0 P > 30 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A9DB8A6240, 16 bytes long.
Data: < P > E0 02 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A9DB8A6CE0, 16 bytes long.
Data: < P > 10 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001A9DB8A6E20, 16 bytes long.
Data: <p P > 70 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001A9DB8A6010, 16 bytes long.
Data: < P > 18 C0 C7 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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