Task 38665613
| Name | test_616-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8331_1 |
| Workunit | 31608562 |
| Created | 25 Oct 2026, 1:17:49 UTC |
| Sent | 25 Oct 2026, 1:36:46 UTC |
| Report deadline | 30 Oct 2026, 1:36:46 UTC |
| Received | 26 Oct 2026, 20:27:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615074 |
| Run time | 9 hours 6 min 45 sec |
| CPU time | 8 hours 41 min 19 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 6,856.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 702.03 MB |
| Peak swap size | 11.28 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:59:44 (17228): wrapper (7.9.26016): starting
22:59:44 (17228): 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
22:59:46 (17228): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:59:46 (17228): 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.
15:12:16 (9264): wrapper (7.9.26016): starting
15:12:16 (9264): 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
21:26:48 (9264): C:/Windows/system32/cmd.exe exited; CPU time 21622.046875
21:26:48 (9264): 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: 310451864 bytes.
Dumping objects ->
{1571} normal block at 0x000002100853BFD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000002100853BF60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x000002100853C660, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1538} normal block at 0x000002100853C5F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1527} normal block at 0x000002100853C510, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1496} normal block at 0x000002100852AE80, 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) : {1483} normal block at 0x0000021008542CA0, 8 bytes long.
Data: < > 00 00 03 0A 10 02 00 00
{300} normal block at 0x0000021008542110, 8 bytes long.
Data: < 5T > D0 35 54 08 10 02 00 00
{291} normal block at 0x0000021008525C70, 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 0x0000021008541FD0, 16 bytes long.
Data: < 4T > D8 34 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000210085427A0, 16 bytes long.
Data: < 4T > B0 34 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002100853E1A0, 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 0x0000021008542250, 16 bytes long.
Data: < 4T > 88 34 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021008542CF0, 16 bytes long.
Data: <`4T > 60 34 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021008542750, 16 bytes long.
Data: <84T > 38 34 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021008542C00, 16 bytes long.
Data: < 4T > 10 34 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002100853C430, 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 0x0000021008542430, 16 bytes long.
Data: < \R > 08 5C 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002100853E200, 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 0x0000021008542B10, 16 bytes long.
Data: < [R > E0 5B 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021008542020, 16 bytes long.
Data: < [R > B8 5B 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021008541F80, 16 bytes long.
Data: < [R > 90 5B 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000210085423E0, 16 bytes long.
Data: <h[R > 68 5B 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021008542980, 16 bytes long.
Data: <@[R > 40 5B 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021008542D40, 16 bytes long.
Data: < [R > 18 5B 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002100853DD20, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{272} normal block at 0x0000021008542700, 16 bytes long.
Data: < ZR > F0 5A 52 08 10 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021008525AF0, 320 bytes long.
Data: < 'T S > 00 27 54 08 10 02 00 00 20 DD 53 08 10 02 00 00
{270} normal block at 0x0000021008542200, 16 bytes long.
Data: < 3T > F0 33 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021008542480, 16 bytes long.
Data: < 3T > C8 33 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002100853DCC0, 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 0x00000210085421B0, 16 bytes long.
Data: < 3T > A0 33 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002100853D9C0, 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 0x0000021008541DF0, 16 bytes long.
Data: < 2T > E8 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021008542390, 16 bytes long.
Data: < 2T > C0 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021008542840, 16 bytes long.
Data: < 2T > 98 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021008542340, 16 bytes long.
Data: <p2T > 70 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000210085425C0, 16 bytes long.
Data: <H2T > 48 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021008541EE0, 16 bytes long.
Data: < 2T > 20 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000210085420C0, 16 bytes long.
Data: < S > E0 C2 53 08 10 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002100853C2E0, 40 bytes long.
Data: < T R > C0 20 54 08 10 02 00 00 80 AE 52 08 10 02 00 00
{256} normal block at 0x0000021008542160, 16 bytes long.
Data: < 2T > 00 32 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021008542AC0, 16 bytes long.
Data: < 1T > D8 31 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002100853E0E0, 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 0x00000210085424D0, 16 bytes long.
Data: < 1T > B0 31 54 08 10 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000210085431B0, 992 bytes long.
Data: < $T S > D0 24 54 08 10 02 00 00 E0 E0 53 08 10 02 00 00
{88} normal block at 0x000002100853DEA0, 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 0x00000210085375E0, 16 bytes long.
Data: < S > 80 C5 53 08 10 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002100853C580, 40 bytes long.
Data: < uS S > E0 75 53 08 10 02 00 00 A0 DE 53 08 10 02 00 00
{65} normal block at 0x0000021008537400, 16 bytes long.
Data: < Q > 80 EA 51 CB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000210085379F0, 16 bytes long.
Data: <@ Q > 40 E9 51 CB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021008538080, 16 bytes long.
Data: < WN > F8 57 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000210085378B0, 16 bytes long.
Data: < WN > D8 57 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021008537B80, 16 bytes long.
Data: <P N > 50 04 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000210085379A0, 16 bytes long.
Data: <0 N > 30 04 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021008537770, 16 bytes long.
Data: < N > E0 02 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021008537C70, 16 bytes long.
Data: < N > 10 04 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021008538120, 16 bytes long.
Data: <p N > 70 04 4E CB F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021008537E00, 16 bytes long.
Data: < L > 18 C0 4C CB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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