Task 38681524

Name test_580-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8245_0
Workunit 31623187
Created 27 Oct 2026, 4:20:23 UTC
Sent 27 Oct 2026, 4:20:37 UTC
Report deadline 1 Nov 2026, 4:20:37 UTC
Received 27 Oct 2026, 4:47:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 22 min 17 sec
CPU time 20 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.19 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:25:30 (51576): wrapper (7.9.26016): starting
21:25:30 (51576): 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
21:25:31 (51576): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:25:31 (51576): 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
21:46:49 (51576): C:/Windows/system32/cmd.exe exited; CPU time 1258.765625
21:46:49 (51576): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23584363 bytes.
Dumping objects ->
{3835219} normal block at 0x000002054C085060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002054C0854C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002054C085450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000002054C0853E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002054C084FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000002054DD18FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002054C0CE9D0, 140 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) : {3835130} normal block at 0x000002054C07F940, 8 bytes long.
 Data: <   L    > 00 00 04 4C 05 02 00 00 
{3834533} normal block at 0x000002054C0CFC80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002054C07F8A0, 8 bytes long.
 Data: <P&#169; L    > 50 A9 0A 4C 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002054C0817E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002054C076570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002054C085B90, 16 bytes long.
 Data: <xn L            > 78 6E 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002054C086590, 16 bytes long.
 Data: <Pn L            > 50 6E 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002054C080590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002054C086090, 16 bytes long.
 Data: <(n L            > 28 6E 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002054C086A90, 16 bytes long.
 Data: < n L            > 00 6E 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002054C086130, 16 bytes long.
 Data: <&#216;m L            > D8 6D 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002054C086630, 16 bytes long.
 Data: <&#176;m L            > B0 6D 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002054C085290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002054C086040, 16 bytes long.
 Data: <x&#246; L            > 78 F6 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002054C080530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002054C085FA0, 16 bytes long.
 Data: <P&#246; L            > 50 F6 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002054C085F50, 16 bytes long.
 Data: <(&#246; L            > 28 F6 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002054C085FF0, 16 bytes long.
 Data: < &#246; L            > 00 F6 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002054C0869F0, 16 bytes long.
 Data: <&#216;&#245; L            > D8 F5 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002054C0865E0, 16 bytes long.
 Data: <&#176;&#245; L            > B0 F5 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002054C085F00, 16 bytes long.
 Data: < &#245; L            > 88 F5 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002054C080710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002054C085EB0, 16 bytes long.
 Data: <`&#245; L            > 60 F5 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002054C06F560, 320 bytes long.
 Data: <&#176;^ L       L    > B0 5E 08 4C 05 02 00 00 10 07 08 4C 05 02 00 00 
{271} normal block at 0x000002054C086770, 16 bytes long.
 Data: < m L            > 90 6D 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002054C086180, 16 bytes long.
 Data: <hm L            > 68 6D 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002054C080DD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002054C085E60, 16 bytes long.
 Data: <@m L            > 40 6D 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002054C080CB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002054C085D20, 16 bytes long.
 Data: < l L            > 88 6C 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002054C086A40, 16 bytes long.
 Data: <`l L            > 60 6C 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002054C0867C0, 16 bytes long.
 Data: <8l L            > 38 6C 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002054C0864F0, 16 bytes long.
 Data: < l L            > 10 6C 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002054C0866D0, 16 bytes long.
 Data: <&#232;k L            > E8 6B 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002054C085CD0, 16 bytes long.
 Data: <&#192;k L            > C0 6B 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002054C086680, 16 bytes long.
 Data: <pS L            > 70 53 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002054C085370, 40 bytes long.
 Data: < f L    &#240; &#209;M    > 80 66 08 4C 05 02 00 00 F0 8F D1 4D 05 02 00 00 
{257} normal block at 0x000002054C0864A0, 16 bytes long.
 Data: <&#160;k L            > A0 6B 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002054C085C80, 16 bytes long.
 Data: <xk L            > 78 6B 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002054C080410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002054C085C30, 16 bytes long.
 Data: <Pk L            > 50 6B 08 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002054C086B50, 992 bytes long.
 Data: <0\ L       L    > 30 5C 08 4C 05 02 00 00 10 04 08 4C 05 02 00 00 
{89} normal block at 0x000002054C0800B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002054C07FC60, 16 bytes long.
 Data: <&#192;&#196; L            > C0 C4 06 4C 05 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002054C06C4C0, 40 bytes long.
 Data: <`&#252; L    &#176;  L    > 60 FC 07 4C 05 02 00 00 B0 00 08 4C 05 02 00 00 
{66} normal block at 0x000002054C07FA80, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002054C07FF80, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002054C07FB20, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002054C07FB70, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002054C07FBC0, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002054C07F620, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002054C07F300, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002054C07F1C0, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002054C07F030, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002054C07FD50, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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