Task 38648018

Name test_882-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND5223_0
Workunit 31592737
Created 23 Oct 2026, 20:28:14 UTC
Sent 23 Oct 2026, 21:37:39 UTC
Report deadline 28 Oct 2026, 21:37:39 UTC
Received 23 Oct 2026, 22:06:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648901
Run time 24 min 47 sec
CPU time 22 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,670.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.16 MB
Peak swap size 8.43 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:41:39 (10344): wrapper (7.9.26016): starting
15:41:39 (10344): 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
15:41:40 (10344): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:41:40 (10344): 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\14\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\14\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
16:05:06 (10344): C:/Windows/system32/cmd.exe exited; CPU time 1374.406250
16:05:06 (10344): 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: 25922789 bytes.
Dumping objects ->
{3835198} normal block at 0x00000121E253D8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000121E253CF50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x00000121E253CEE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x00000121E0794EF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000121E0794E80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x00000121E2586070, 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) : {3835110} normal block at 0x00000121E078E450, 8 bytes long.
 Data: <  &#198;&#224;!   > 00 00 C6 E0 21 01 00 00 
{3833959} normal block at 0x00000121E078E180, 8 bytes long.
 Data: <&#176;Fy&#224;!   > B0 46 79 E0 21 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000121E0791FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000121E0786D10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000121E0796910, 16 bytes long.
 Data: < \y&#224;!           > 88 5C 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000121E07961E0, 16 bytes long.
 Data: <`\y&#224;!           > 60 5C 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000121E078FCD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000121E07962D0, 16 bytes long.
 Data: <8\y&#224;!           > 38 5C 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000121E0796230, 16 bytes long.
 Data: < \y&#224;!           > 10 5C 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000121E0796870, 16 bytes long.
 Data: <&#232;[y&#224;!           > E8 5B 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000121E0796640, 16 bytes long.
 Data: <&#192;[y&#224;!           > C0 5B 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000121E07952E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000121E0796820, 16 bytes long.
 Data: <&#184;&#246;w&#224;!           > B8 F6 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000121E078F550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000121E0796C30, 16 bytes long.
 Data: < &#246;w&#224;!           > 90 F6 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000121E0796190, 16 bytes long.
 Data: <h&#246;w&#224;!           > 68 F6 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000121E0796280, 16 bytes long.
 Data: <@&#246;w&#224;!           > 40 F6 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000121E0796CD0, 16 bytes long.
 Data: < &#246;w&#224;!           > 18 F6 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000121E0795EC0, 16 bytes long.
 Data: <&#240;&#245;w&#224;!           > F0 F5 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000121E07965F0, 16 bytes long.
 Data: <&#200;&#245;w&#224;!           > C8 F5 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000121E078F8B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000121E0796730, 16 bytes long.
 Data: <&#160;&#245;w&#224;!           > A0 F5 77 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000121E077F5A0, 320 bytes long.
 Data: <0gy&#224;!   &#176;&#248;x&#224;!   > 30 67 79 E0 21 01 00 00 B0 F8 78 E0 21 01 00 00 
{275} normal block at 0x00000121E0796AF0, 16 bytes long.
 Data: <&#160;[y&#224;!           > A0 5B 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000121E07964B0, 16 bytes long.
 Data: <x[y&#224;!           > 78 5B 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000121E078F370, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000121E0795DD0, 16 bytes long.
 Data: <P[y&#224;!           > 50 5B 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000121E078FC70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000121E07968C0, 16 bytes long.
 Data: < Zy&#224;!           > 98 5A 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000121E07967D0, 16 bytes long.
 Data: <pZy&#224;!           > 70 5A 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000121E07960A0, 16 bytes long.
 Data: <HZy&#224;!           > 48 5A 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000121E07966E0, 16 bytes long.
 Data: < Zy&#224;!           > 20 5A 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000121E0796050, 16 bytes long.
 Data: <&#248;Yy&#224;!           > F8 59 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000121E078DE10, 16 bytes long.
 Data: <&#208;Yy&#224;!           > D0 59 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000121E078DDC0, 16 bytes long.
 Data: <`Oy&#224;!           > 60 4F 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000121E0794F60, 40 bytes long.
 Data: <&#192;&#221;x&#224;!   p`X&#226;!   > C0 DD 78 E0 21 01 00 00 70 60 58 E2 21 01 00 00 
{261} normal block at 0x00000121E078DCD0, 16 bytes long.
 Data: <&#176;Yy&#224;!           > B0 59 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000121E078DB40, 16 bytes long.
 Data: < Yy&#224;!           > 88 59 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000121E078FC10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000121E078DAA0, 16 bytes long.
 Data: <`Yy&#224;!           > 60 59 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000121E0795960, 992 bytes long.
 Data: <&#160;&#218;x&#224;!    &#252;x&#224;!   > A0 DA 78 E0 21 01 00 00 10 FC 78 E0 21 01 00 00 
{93} normal block at 0x00000121E0790210, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000121E078D640, 16 bytes long.
 Data: <0Ty&#224;!           > 30 54 79 E0 21 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000121E0795430, 40 bytes long.
 Data: <@&#214;x&#224;!     y&#224;!   > 40 D6 78 E0 21 01 00 00 10 02 79 E0 21 01 00 00 
{70} normal block at 0x00000121E078DE60, 16 bytes long.
 Data: < &#234; =&#247;           > 80 EA 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000121E078DA00, 16 bytes long.
 Data: <@&#233; =&#247;           > 40 E9 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000121E078D9B0, 16 bytes long.
 Data: <&#248;W&#138;=&#247;           > F8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000121E078DFF0, 16 bytes long.
 Data: <&#216;W&#138;=&#247;           > D8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000121E078DD70, 16 bytes long.
 Data: <P &#138;=&#247;           > 50 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000121E078E0E0, 16 bytes long.
 Data: <0 &#138;=&#247;           > 30 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000121E078DFA0, 16 bytes long.
 Data: <&#224; &#138;=&#247;           > E0 02 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000121E078D730, 16 bytes long.
 Data: <  &#138;=&#247;           > 10 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000121E078E3B0, 16 bytes long.
 Data: <p &#138;=&#247;           > 70 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000121E078D5F0, 16 bytes long.
 Data: < &#192; =&#247;           > 18 C0 88 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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