Task 38679720

Name test_654-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4306_0
Workunit 31621484
Created 26 Oct 2026, 21:30:41 UTC
Sent 26 Oct 2026, 21:30:49 UTC
Report deadline 31 Oct 2026, 21:30:49 UTC
Received 27 Oct 2026, 13:20:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 21 sec
CPU time 30 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.02 MB
Peak swap size 9.95 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:44:00 (41760): wrapper (7.9.26016): starting
21:44:00 (41760): 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
21:44:02 (41760): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:44:02 (41760): 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 'D:\BOINC\slots\18\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 'D:\BOINC\slots\18\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
22:14:33 (41760): C:/Windows/system32/cmd.exe exited; CPU time 1804.000000
22:14:33 (41760): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 35409613 bytes.
Dumping objects ->
{3835578} normal block at 0x000002017CB35140, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x000002017EB660E0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x000002017EB67160, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x000002017EB66C80, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x000002017EB65FC0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x000002017CB355A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x000002017CB8E540, 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) : {3835489} normal block at 0x000002017CB2EB70, 8 bytes long.
 Data: <  &#172;|    > 00 00 AC 7C 01 02 00 00 
{3834767} normal block at 0x000002017CB8D910, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000002017CB2F160, 8 bytes long.
 Data: <`K&#179;|    > 60 4B B3 7C 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002017CB26F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002017CB27CB0, 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 0x000002017CB36EB0, 16 bytes long.
 Data: <&#216;s&#179;|            > D8 73 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002017CB360F0, 16 bytes long.
 Data: <&#176;s&#179;|            > B0 73 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002017CB30D50, 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 0x000002017CB36E60, 16 bytes long.
 Data: < s&#179;|            > 88 73 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002017CB36960, 16 bytes long.
 Data: <`s&#179;|            > 60 73 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002017CB37040, 16 bytes long.
 Data: <8s&#179;|            > 38 73 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002017CB36D70, 16 bytes long.
 Data: < s&#179;|            > 10 73 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002017CB35300, 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 0x000002017CB36820, 16 bytes long.
 Data: <&#216;&#190;&#177;|            > D8 BE B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002017CB31290, 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 0x000002017CB369B0, 16 bytes long.
 Data: <&#176;&#190;&#177;|            > B0 BE B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002017CB36B40, 16 bytes long.
 Data: < &#190;&#177;|            > 88 BE B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002017CB36870, 16 bytes long.
 Data: <`&#190;&#177;|            > 60 BE B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002017CB36410, 16 bytes long.
 Data: <8&#190;&#177;|            > 38 BE B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002017CB36C80, 16 bytes long.
 Data: < &#190;&#177;|            > 10 BE B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002017CB36910, 16 bytes long.
 Data: < &#189;&#177;|            > E8 BD B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002017CB31590, 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 0x000002017CB36140, 16 bytes long.
 Data: <&#192;&#189;&#177;|            > C0 BD B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002017CB1BDC0, 320 bytes long.
 Data: <@a&#179;|      &#179;|    > 40 61 B3 7C 01 02 00 00 90 15 B3 7C 01 02 00 00 
{279} normal block at 0x000002017CB36E10, 16 bytes long.
 Data: < r&#179;|            > F0 72 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002017CB361E0, 16 bytes long.
 Data: <&#200;r&#179;|            > C8 72 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002017CB315F0, 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 0x000002017CB365A0, 16 bytes long.
 Data: < r&#179;|            > A0 72 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002017CB31830, 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 0x000002017CB36CD0, 16 bytes long.
 Data: < q&#179;|            > E8 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002017CB36190, 16 bytes long.
 Data: <&#192;q&#179;|            > C0 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002017CB36D20, 16 bytes long.
 Data: < q&#179;|            > 98 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002017CB36DC0, 16 bytes long.
 Data: <pq&#179;|            > 70 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002017CB36460, 16 bytes long.
 Data: <Hq&#179;|            > 48 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002017CB36370, 16 bytes long.
 Data: < q&#179;|            > 20 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002017CB36780, 16 bytes long.
 Data: < V&#179;|            > F0 56 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002017CB356F0, 40 bytes long.
 Data: < g&#179;|     U&#179;|    > 80 67 B3 7C 01 02 00 00 A0 55 B3 7C 01 02 00 00 
{265} normal block at 0x000002017CB364B0, 16 bytes long.
 Data: < q&#179;|            > 00 71 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002017CB36FF0, 16 bytes long.
 Data: <&#216;p&#179;|            > D8 70 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002017CB316B0, 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 0x000002017CB36550, 16 bytes long.
 Data: <&#176;p&#179;|            > B0 70 B3 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002017CB370B0, 992 bytes long.
 Data: <Pe&#179;|    &#176; &#179;|    > 50 65 B3 7C 01 02 00 00 B0 16 B3 7C 01 02 00 00 
{97} normal block at 0x000002017CB317D0, 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 0x000002017CB2EAD0, 16 bytes long.
 Data: <P&#203;&#177;|            > 50 CB B1 7C 01 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002017CB1CB50, 40 bytes long.
 Data: <&#208; &#178;|    &#208; &#179;|    > D0 EA B2 7C 01 02 00 00 D0 17 B3 7C 01 02 00 00 
{72} normal block at 0x000002017CB2F390, 16 bytes long.
 Data: <  &#212;_            > 80 EA D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002017CB2ED00, 16 bytes long.
 Data: <@ &#212;_            > 40 E9 D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002017CB2F890, 16 bytes long.
 Data: < W&#209;_            > F8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002017CB2F2F0, 16 bytes long.
 Data: <&#216;W&#209;_            > D8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002017CB2EF80, 16 bytes long.
 Data: <P &#209;_            > 50 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002017CB2ECB0, 16 bytes long.
 Data: <0 &#209;_            > 30 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002017CB2F340, 16 bytes long.
 Data: <  &#209;_            > E0 02 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002017CB2EBC0, 16 bytes long.
 Data: <  &#209;_            > 10 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002017CB2EC60, 16 bytes long.
 Data: <p &#209;_            > 70 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002017CB2F7F0, 16 bytes long.
 Data: < &#192;&#207;_            > 18 C0 CF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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