Task 38671456

Name test_35-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9383_0
Workunit 31613661
Created 25 Oct 2026, 20:33:48 UTC
Sent 25 Oct 2026, 20:34:05 UTC
Report deadline 30 Oct 2026, 20:34:05 UTC
Received 25 Oct 2026, 21:33:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 14 min 25 sec
CPU time 13 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.90 MB
Peak swap size 13.06 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:19:05 (26488): wrapper (7.9.26016): starting
22:19:05 (26488): 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
22:19:06 (26488): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:19:06 (26488): 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:\DataBOINC\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:\DataBOINC\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
22:32:55 (26488): C:/Windows/system32/cmd.exe exited; CPU time 794.140625
22:32:55 (26488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 12652027 bytes.
Dumping objects ->
{3835610} normal block at 0x0000025D99B653E0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x0000025D9B9C0060, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x0000025D9B9C1140, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x0000025D9B9C0720, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x0000025D9B9C0420, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x0000025D99B65300, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x0000025D9B98EE20, 102 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) : {3835521} normal block at 0x0000025D99B5E3E0, 8 bytes long.
 Data: <   &#154;]   > 00 00 03 9A 5D 02 00 00 
{3834715} normal block at 0x0000025D9B98F450, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000025D99B5E430, 8 bytes long.
 Data: < Y&#160;&#155;]   > 80 59 A0 9B 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025D99B61B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025D99B56560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000025D99B66680, 16 bytes long.
 Data: <xn&#182; ]           > 78 6E B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025D99B66770, 16 bytes long.
 Data: <Pn&#182; ]           > 50 6E B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025D99B5FFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000025D99B66270, 16 bytes long.
 Data: <(n&#182; ]           > 28 6E B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025D99B662C0, 16 bytes long.
 Data: < n&#182; ]           > 00 6E B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025D99B65DC0, 16 bytes long.
 Data: <&#216;m&#182; ]           > D8 6D B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025D99B66630, 16 bytes long.
 Data: <&#176;m&#182; ]           > B0 6D B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025D99B64FF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000025D99B66090, 16 bytes long.
 Data: <x&#148;&#181; ]           > 78 94 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025D99B5FBB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000025D99B669F0, 16 bytes long.
 Data: <P&#148;&#181; ]           > 50 94 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025D99B667C0, 16 bytes long.
 Data: <(&#148;&#181; ]           > 28 94 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025D99B66220, 16 bytes long.
 Data: < &#148;&#181; ]           > 00 94 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025D99B65EB0, 16 bytes long.
 Data: <&#216;&#147;&#181; ]           > D8 93 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025D99B65BE0, 16 bytes long.
 Data: <&#176;&#147;&#181; ]           > B0 93 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D99B66180, 16 bytes long.
 Data: < &#147;&#181; ]           > 88 93 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025D99B602D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000025D99B66310, 16 bytes long.
 Data: <`&#147;&#181; ]           > 60 93 B5 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025D99B59360, 320 bytes long.
 Data: < c&#182; ]   &#208; &#182; ]   > 10 63 B6 99 5D 02 00 00 D0 02 B6 99 5D 02 00 00 
{276} normal block at 0x0000025D99B66040, 16 bytes long.
 Data: < m&#182; ]           > 90 6D B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D99B65CD0, 16 bytes long.
 Data: <hm&#182; ]           > 68 6D B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025D99B5F6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000025D99B65FF0, 16 bytes long.
 Data: <@m&#182; ]           > 40 6D B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D99B5FDF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000025D99B661D0, 16 bytes long.
 Data: < l&#182; ]           > 88 6C B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025D99B65FA0, 16 bytes long.
 Data: <`l&#182; ]           > 60 6C B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D99B65B90, 16 bytes long.
 Data: <8l&#182; ]           > 38 6C B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025D99B66950, 16 bytes long.
 Data: < l&#182; ]           > 10 6C B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025D99B65C30, 16 bytes long.
 Data: <&#232;k&#182; ]           > E8 6B B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D99B65F50, 16 bytes long.
 Data: <&#192;k&#182; ]           > C0 6B B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025D99B665E0, 16 bytes long.
 Data: <&#192;T&#182; ]           > C0 54 B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025D99B654C0, 40 bytes long.
 Data: <&#224;e&#182; ]    S&#182; ]   > E0 65 B6 99 5D 02 00 00 00 53 B6 99 5D 02 00 00 
{262} normal block at 0x0000025D99B660E0, 16 bytes long.
 Data: <&#160;k&#182; ]           > A0 6B B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025D99B66130, 16 bytes long.
 Data: <xk&#182; ]           > 78 6B B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025D99B5F610, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000025D99B66450, 16 bytes long.
 Data: <Pk&#182; ]           > 50 6B B6 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025D99B66B50, 992 bytes long.
 Data: <Pd&#182; ]    &#246;&#181; ]   > 50 64 B6 99 5D 02 00 00 10 F6 B5 99 5D 02 00 00 
{94} normal block at 0x0000025D99B5FA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000025D99B5E340, 16 bytes long.
 Data: <p&#247;&#180; ]           > 70 F7 B4 99 5D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025D99B4F770, 40 bytes long.
 Data: <@&#227;&#181; ]   0&#250;&#181; ]   > 40 E3 B5 99 5D 02 00 00 30 FA B5 99 5D 02 00 00 
{71} normal block at 0x0000025D99B5E200, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025D99B5DE90, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025D99B5DB20, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025D99B5DFD0, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025D99B5E020, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025D99B5D5D0, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025D99B5D620, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025D99B5DF80, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025D99B5DAD0, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025D99B5DBC0, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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