Task 38687290

Name test_518-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8382_0
Workunit 31628684
Created 28 Oct 2026, 6:58:29 UTC
Sent 28 Oct 2026, 6:58:32 UTC
Report deadline 2 Nov 2026, 6:58:32 UTC
Received 28 Oct 2026, 8:19:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654638
Run time 52 min 30 sec
CPU time 46 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,725.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.18 MB
Peak swap size 5.43 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:28:23 (3296): wrapper (7.9.26016): starting
08:28:23 (3296): 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
08:28:25 (3296): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:28:25 (3296): 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\0\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\0\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
09:18:49 (3296): C:/Windows/system32/cmd.exe exited; CPU time 2810.218750
09:18:49 (3296): 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: 73693849 bytes.
Dumping objects ->
{3835437} normal block at 0x0000020419ACAB00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000020419ACA5C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x0000020419ACA9B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x0000020419AA5500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000020419AA5490, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x000002041B7EB5F0, 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) : {3835349} normal block at 0x0000020419A9E6A0, 8 bytes long.
 Data: <  X     > 00 00 58 1B 04 02 00 00 
{3833967} normal block at 0x0000020419A9E240, 8 bytes long.
 Data: <&#240;P&#135;     > F0 50 87 1B 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020419AA1A40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020419A96960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000020419AA6EA0, 16 bytes long.
 Data: <8r&#170;             > 38 72 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020419AA6C70, 16 bytes long.
 Data: < r&#170;             > 10 72 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020419AA05D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000020419AA6400, 16 bytes long.
 Data: <&#232;q&#170;             > E8 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020419AA5FF0, 16 bytes long.
 Data: <&#192;q&#170;             > C0 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020419AA64F0, 16 bytes long.
 Data: < q&#170;             > 98 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020419AA6C20, 16 bytes long.
 Data: <pq&#170;             > 70 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020419AA5340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000020419AA6540, 16 bytes long.
 Data: <X&#250;&#168;             > 58 FA A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020419A9F9D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000020419AA6BD0, 16 bytes long.
 Data: <0&#250;&#168;             > 30 FA A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020419AA63B0, 16 bytes long.
 Data: < &#250;&#168;             > 08 FA A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020419AA6950, 16 bytes long.
 Data: <&#224;&#249;&#168;             > E0 F9 A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020419AA6360, 16 bytes long.
 Data: <&#184;&#249;&#168;             > B8 F9 A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020419AA6130, 16 bytes long.
 Data: < &#249;&#168;             > 90 F9 A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020419AA69A0, 16 bytes long.
 Data: <h&#249;&#168;             > 68 F9 A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020419AA0270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000020419AA6310, 16 bytes long.
 Data: <@&#249;&#168;             > 40 F9 A8 19 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020419A8F940, 320 bytes long.
 Data: < c&#170;     p &#170;     > 10 63 AA 19 04 02 00 00 70 02 AA 19 04 02 00 00 
{279} normal block at 0x0000020419AA6680, 16 bytes long.
 Data: <Pq&#170;             > 50 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020419AA6B80, 16 bytes long.
 Data: <(q&#170;             > 28 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020419AA01B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000020419AA6A40, 16 bytes long.
 Data: < q&#170;             > 00 71 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020419A9FC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000020419AA62C0, 16 bytes long.
 Data: <Hp&#170;             > 48 70 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020419AA65E0, 16 bytes long.
 Data: < p&#170;             > 20 70 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020419AA6A90, 16 bytes long.
 Data: <&#248;o&#170;             > F8 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020419AA6220, 16 bytes long.
 Data: <&#208;o&#170;             > D0 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020419AA6B30, 16 bytes long.
 Data: <&#168;o&#170;             > A8 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020419AA5F50, 16 bytes long.
 Data: < o&#170;             > 80 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020419AA5FA0, 16 bytes long.
 Data: <&#240;X&#170;             > F0 58 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020419AA58F0, 40 bytes long.
 Data: <&#160;_&#170;     &#240;&#181;~     > A0 5F AA 19 04 02 00 00 F0 B5 7E 1B 04 02 00 00 
{265} normal block at 0x0000020419AA60E0, 16 bytes long.
 Data: <`o&#170;             > 60 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020419AA6180, 16 bytes long.
 Data: <8o&#170;             > 38 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020419AA02D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000020419AA6270, 16 bytes long.
 Data: < o&#170;             > 10 6F AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020419AA6F10, 992 bytes long.
 Data: <pb&#170;     &#208; &#170;     > 70 62 AA 19 04 02 00 00 D0 02 AA 19 04 02 00 00 
{97} normal block at 0x0000020419AA0090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000020419A9DA70, 16 bytes long.
 Data: <pU&#170;             > 70 55 AA 19 04 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000020419AA5570, 40 bytes long.
 Data: <p&#218;&#169;       &#170;     > 70 DA A9 19 04 02 00 00 90 00 AA 19 04 02 00 00 
{74} normal block at 0x0000020419A9D980, 16 bytes long.
 Data: < &#234;K&#248;&#246;           > 80 EA 4B F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020419A9E0B0, 16 bytes long.
 Data: <@&#233;K&#248;&#246;           > 40 E9 4B F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020419A9D930, 16 bytes long.
 Data: <&#248;WH&#248;&#246;           > F8 57 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020419A9DDE0, 16 bytes long.
 Data: <&#216;WH&#248;&#246;           > D8 57 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020419A9DCF0, 16 bytes long.
 Data: <P H&#248;&#246;           > 50 04 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020419A9DD40, 16 bytes long.
 Data: <0 H&#248;&#246;           > 30 04 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020419A9E650, 16 bytes long.
 Data: <&#224; H&#248;&#246;           > E0 02 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020419A9E100, 16 bytes long.
 Data: <  H&#248;&#246;           > 10 04 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020419A9D8E0, 16 bytes long.
 Data: <p H&#248;&#246;           > 70 04 48 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020419A9DE30, 16 bytes long.
 Data: < &#192;F&#248;&#246;           > 18 C0 46 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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