Task 38681789
| Name | test_833-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1803_0 |
| Workunit | 31623440 |
| Created | 27 Oct 2026, 5:21:47 UTC |
| Sent | 27 Oct 2026, 5:21:54 UTC |
| Report deadline | 1 Nov 2026, 5:21:54 UTC |
| Received | 27 Oct 2026, 7:18:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610949 |
| Run time | 28 min 47 sec |
| CPU time | 27 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 715.39 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:49:26 (35056): wrapper (7.9.26016): starting
15:49:26 (35056): 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
15:49:27 (35056): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:49:27 (35056): 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.
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
16:17:31 (35056): C:/Windows/system32/cmd.exe exited; CPU time 1627.718750
16:17:31 (35056): 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: 38574493 bytes.
Dumping objects ->
{3835380} normal block at 0x000001DFAE691760, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835369} normal block at 0x000001DFAE691E60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835358} normal block at 0x000001DFAE691DF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835347} normal block at 0x000001DFAE691990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835336} normal block at 0x000001DFAE691CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835305} normal block at 0x000001DFAE5BA950, 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) : {3835292} normal block at 0x000001DFAAC7DD70, 8 bytes long.
Data: < «ß > 00 00 1F AB DF 01 00 00
{3834077} normal block at 0x000001DFAAC7E1D0, 8 bytes long.
Data: < ,f®ß > E0 2C 66 AE DF 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001DFAAC6ECB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001DFAAC67450, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001DFAAC7DA50, 16 bytes long.
Data: <8ÑÇªß > 38 D1 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001DFAAC7DF50, 16 bytes long.
Data: < ÑÇªß > 10 D1 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001DFAAC75A20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001DFAAC7DAA0, 16 bytes long.
Data: < ÐÇªß > E8 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DFAAC7D370, 16 bytes long.
Data: <ÀÐÇªß > C0 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DFAAC7A1C0, 16 bytes long.
Data: < ÐÇªß > 98 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DFAAC7A170, 16 bytes long.
Data: <pÐÇªß > 70 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DFAAC77B00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001DFAAC79270, 16 bytes long.
Data: < wÇªß > 88 77 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DFAAC75720, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001DFAAC7A0D0, 16 bytes long.
Data: <`wÇªß > 60 77 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DFAAC79E50, 16 bytes long.
Data: <8wÇªß > 38 77 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DFAAC797C0, 16 bytes long.
Data: < wÇªß > 10 77 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DFAAC79450, 16 bytes long.
Data: < vÇªß > E8 76 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DFAAC79D60, 16 bytes long.
Data: <ÀvÇªß > C0 76 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DFAAC79310, 16 bytes long.
Data: < vÇªß > 98 76 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DFAAC75900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001DFAAC7A030, 16 bytes long.
Data: <pvÇªß > 70 76 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DFAAC77670, 320 bytes long.
Data: <0 Çªß YÇªß > 30 A0 C7 AA DF 01 00 00 00 59 C7 AA DF 01 00 00
{281} normal block at 0x000001DFAAC79CC0, 16 bytes long.
Data: <PÐÇªß > 50 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DFAAC79EF0, 16 bytes long.
Data: <(ÐÇªß > 28 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DFAAC75F60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001DFAAC79C70, 16 bytes long.
Data: < ÐÇªß > 00 D0 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DFAAC75C00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001DFAAC79810, 16 bytes long.
Data: <HÏÇªß > 48 CF C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DFAAC796D0, 16 bytes long.
Data: < ÏÇªß > 20 CF C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DFAAC795E0, 16 bytes long.
Data: < ÎÇªß > F8 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DFAAC79D10, 16 bytes long.
Data: <ÐÎÇªß > D0 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DFAAC79540, 16 bytes long.
Data: <¨ÎÇªß > A8 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DFAAC79BD0, 16 bytes long.
Data: < ÎÇªß > 80 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DFAAC794F0, 16 bytes long.
Data: <° Çªß > B0 80 C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DFAAC780B0, 40 bytes long.
Data: < Çªß P©[®ß > F0 94 C7 AA DF 01 00 00 50 A9 5B AE DF 01 00 00
{267} normal block at 0x000001DFAAC79A90, 16 bytes long.
Data: <`ÎÇªß > 60 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DFAAC79400, 16 bytes long.
Data: <8ÎÇªß > 38 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DFAAC76260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001DFAAC799A0, 16 bytes long.
Data: < ÎÇªß > 10 CE C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DFAAC7CE10, 992 bytes long.
Data: < Çªß `bÇªß > A0 99 C7 AA DF 01 00 00 60 62 C7 AA DF 01 00 00
{99} normal block at 0x000001DFAAC75F00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001DFAAC794A0, 16 bytes long.
Data: < ~Çªß > 10 7E C7 AA DF 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001DFAAC77E10, 40 bytes long.
Data: < Çªß _Çªß > A0 94 C7 AA DF 01 00 00 00 5F C7 AA DF 01 00 00
{74} normal block at 0x000001DFAAC79A40, 16 bytes long.
Data: < m > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001DFAAC79950, 16 bytes long.
Data: <@ m > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001DFAAC7A080, 16 bytes long.
Data: < W m > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DFAAC792C0, 16 bytes long.
Data: <ØW m > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DFAAC79F90, 16 bytes long.
Data: <P m > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DFAAC79860, 16 bytes long.
Data: <0 m > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DFAAC6BD80, 16 bytes long.
Data: < m > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DFAAC6B5B0, 16 bytes long.
Data: < m > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DFAAC6B2E0, 16 bytes long.
Data: <p m > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DFAAC6BCE0, 16 bytes long.
Data: < À m > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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