Task 38663172

Name test_910-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND2631_0
Workunit 31606395
Created 24 Oct 2026, 21:28:41 UTC
Sent 24 Oct 2026, 21:28:47 UTC
Report deadline 29 Oct 2026, 21:28:47 UTC
Received 24 Oct 2026, 22:27:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636059
Run time 52 min 31 sec
CPU time 22 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 922.83 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.7</core_client_version>
<![CDATA[
<stderr_txt>
17:32:44 (12060): wrapper (7.9.26016): starting
17:32:44 (12060): 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
17:32:46 (12060): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:32:46 (12060): 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
18:23:03 (12060): C:/Windows/system32/cmd.exe exited; CPU time 1365.109375
18:23:03 (12060): called boinc_finish(0)
0 bytes in 0 Free Blocks.
524 bytes in 8 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: 48445095 bytes.
Dumping objects ->
{3835646} normal block at 0x000002549A81D8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x000002549A81D180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835624} normal block at 0x000002549A81D880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835613} normal block at 0x0000025498C42740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835602} normal block at 0x0000025498C423C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835571} normal block at 0x000002549A6B1850, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x000002549A7A2870, 134 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835557} normal block at 0x0000025498C38DC0, 8 bytes long.
 Data: <  V&#154;T   > 00 00 56 9A 54 02 00 00 
{3834755} normal block at 0x000002549A7A3300, 134 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000025498C38CD0, 8 bytes long.
 Data: <pp&#147;&#154;T   > 70 70 93 9A 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000025498C301B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000025498C2E790, 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 0x0000025498C44980, 16 bytes long.
 Data: <(Q&#196; T           > 28 51 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025498C43F30, 16 bytes long.
 Data: < Q&#196; T           > 00 51 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025498C3E230, 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 0x0000025498C44930, 16 bytes long.
 Data: <&#216;P&#196; T           > D8 50 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025498C44750, 16 bytes long.
 Data: <&#176;P&#196; T           > B0 50 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025498C44890, 16 bytes long.
 Data: < P&#196; T           > 88 50 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025498C44700, 16 bytes long.
 Data: <`P&#196; T           > 60 50 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025498C429E0, 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 0x0000025498C446B0, 16 bytes long.
 Data: < &#188;&#194; T           > 08 BC C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025498C3DFF0, 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 0x0000025498C44840, 16 bytes long.
 Data: <&#224;&#187;&#194; T           > E0 BB C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025498C445C0, 16 bytes long.
 Data: <&#184;&#187;&#194; T           > B8 BB C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025498C44660, 16 bytes long.
 Data: < &#187;&#194; T           > 90 BB C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025498C43EE0, 16 bytes long.
 Data: <h&#187;&#194; T           > 68 BB C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025498C44D90, 16 bytes long.
 Data: <@&#187;&#194; T           > 40 BB C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025498C442A0, 16 bytes long.
 Data: < &#187;&#194; T           > 18 BB C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025498C3DD50, 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 0x0000025498C447F0, 16 bytes long.
 Data: <&#240;&#186;&#194; T           > F0 BA C2 98 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025498C2BAF0, 320 bytes long.
 Data: <&#240;G&#196; T   P&#221;&#195; T   > F0 47 C4 98 54 02 00 00 50 DD C3 98 54 02 00 00 
{281} normal block at 0x0000025498C44070, 16 bytes long.
 Data: <@P&#196; T           > 40 50 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025498C44610, 16 bytes long.
 Data: < P&#196; T           > 18 50 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025498C3E650, 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 0x0000025498C43E90, 16 bytes long.
 Data: <&#240;O&#196; T           > F0 4F C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025498C3DE10, 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 0x0000025498C44250, 16 bytes long.
 Data: <8O&#196; T           > 38 4F C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025498C44200, 16 bytes long.
 Data: < O&#196; T           > 10 4F C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025498C44D40, 16 bytes long.
 Data: <&#232;N&#196; T           > E8 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025498C44CA0, 16 bytes long.
 Data: <&#192;N&#196; T           > C0 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025498C44570, 16 bytes long.
 Data: < N&#196; T           > 98 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025498C44BB0, 16 bytes long.
 Data: <pN&#196; T           > 70 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025498C44B60, 16 bytes long.
 Data: < %&#196; T           > 10 25 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025498C42510, 40 bytes long.
 Data: <`K&#196; T   P k&#154;T   > 60 4B C4 98 54 02 00 00 50 18 6B 9A 54 02 00 00 
{267} normal block at 0x0000025498C44160, 16 bytes long.
 Data: <PN&#196; T           > 50 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025498C44390, 16 bytes long.
 Data: <(N&#196; T           > 28 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025498C3E2F0, 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 0x0000025498C44B10, 16 bytes long.
 Data: < N&#196; T           > 00 4E C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025498C44E00, 992 bytes long.
 Data: < K&#196; T   &#240;&#226;&#195; T   > 10 4B C4 98 54 02 00 00 F0 E2 C3 98 54 02 00 00 
{99} normal block at 0x0000025498C3E530, 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 0x0000025498C39540, 16 bytes long.
 Data: <&#160;$&#196; T           > A0 24 C4 98 54 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000025498C424A0, 40 bytes long.
 Data: <@&#149;&#195; T   0&#229;&#195; T   > 40 95 C3 98 54 02 00 00 30 E5 C3 98 54 02 00 00 
{76} normal block at 0x0000025498C398B0, 16 bytes long.
 Data: < &#234;ld&#247;           > 80 EA 6C 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000025498C39360, 16 bytes long.
 Data: <@&#233;ld&#247;           > 40 E9 6C 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000025498C394F0, 16 bytes long.
 Data: <&#248;Wid&#247;           > F8 57 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025498C39040, 16 bytes long.
 Data: <&#216;Wid&#247;           > D8 57 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025498C39400, 16 bytes long.
 Data: <P id&#247;           > 50 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025498C392C0, 16 bytes long.
 Data: <0 id&#247;           > 30 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025498C39810, 16 bytes long.
 Data: <&#224; id&#247;           > E0 02 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025498C38FF0, 16 bytes long.
 Data: <  id&#247;           > 10 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025498C39130, 16 bytes long.
 Data: <p id&#247;           > 70 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025498C393B0, 16 bytes long.
 Data: < &#192;gd&#247;           > 18 C0 67 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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