Task 38669003

Name test_33-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8295_0
Workunit 31611406
Created 25 Oct 2026, 13:21:55 UTC
Sent 25 Oct 2026, 13:21:57 UTC
Report deadline 30 Oct 2026, 13:21:57 UTC
Received 25 Oct 2026, 13:49:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 14 sec
CPU time 24 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.57 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:25:00 (24036): wrapper (7.9.26016): starting
08:25:00 (24036): 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
08:25:01 (24036): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:25:01 (24036): 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
08:49:29 (24036): C:/Windows/system32/cmd.exe exited; CPU time 1451.390625
08:49:29 (24036): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23308945 bytes.
Dumping objects ->
{3835550} normal block at 0x0000020ECA595A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000020ECA595C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x0000020ECA5959A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x0000020ECA595CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x0000020ECA595BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x0000020ECC3ACBE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000020ECC40E2E0, 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) : {3835461} normal block at 0x0000020ECA58E790, 8 bytes long.
 Data: <  &#170;&#202;    > 00 00 AA CA 0E 02 00 00 
{3834683} normal block at 0x0000020ECC40D940, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000020ECA58DC50, 8 bytes long.
 Data: < SE&#204;    > 90 53 45 CC 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020ECA590710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020ECA585300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020ECA594F40, 16 bytes long.
 Data: <hTY&#202;            > 68 54 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020ECA594EA0, 16 bytes long.
 Data: <@TY&#202;            > 40 54 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020ECA58F100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020ECA5941D0, 16 bytes long.
 Data: < TY&#202;            > 18 54 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020ECA594180, 16 bytes long.
 Data: <&#240;SY&#202;            > F0 53 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020ECA594950, 16 bytes long.
 Data: <&#200;SY&#202;            > C8 53 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020ECA594630, 16 bytes long.
 Data: <&#160;SY&#202;            > A0 53 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020ECA595770, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020ECA594E00, 16 bytes long.
 Data: <8&#134;X&#202;            > 38 86 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020ECA58EF80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020ECA5950D0, 16 bytes long.
 Data: < &#134;X&#202;            > 10 86 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020ECA594DB0, 16 bytes long.
 Data: <&#232;&#133;X&#202;            > E8 85 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020ECA594590, 16 bytes long.
 Data: <&#192;&#133;X&#202;            > C0 85 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020ECA594D60, 16 bytes long.
 Data: < &#133;X&#202;            > 98 85 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020ECA5949F0, 16 bytes long.
 Data: <p&#133;X&#202;            > 70 85 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020ECA5949A0, 16 bytes long.
 Data: <H&#133;X&#202;            > 48 85 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020ECA58F340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020ECA594EF0, 16 bytes long.
 Data: < &#133;X&#202;            > 20 85 58 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020ECA588520, 320 bytes long.
 Data: <&#240;NY&#202;    @&#243;X&#202;    > F0 4E 59 CA 0E 02 00 00 40 F3 58 CA 0E 02 00 00 
{273} normal block at 0x0000020ECA594310, 16 bytes long.
 Data: < SY&#202;            > 80 53 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020ECA595030, 16 bytes long.
 Data: <XSY&#202;            > 58 53 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020ECA58F2E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020ECA594D10, 16 bytes long.
 Data: <0SY&#202;            > 30 53 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020ECA58F5E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020ECA594C70, 16 bytes long.
 Data: <xRY&#202;            > 78 52 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020ECA594E50, 16 bytes long.
 Data: <PRY&#202;            > 50 52 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020ECA594360, 16 bytes long.
 Data: <(RY&#202;            > 28 52 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020ECA594CC0, 16 bytes long.
 Data: < RY&#202;            > 00 52 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020ECA594540, 16 bytes long.
 Data: <&#216;QY&#202;            > D8 51 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020ECA594BD0, 16 bytes long.
 Data: <&#176;QY&#202;            > B0 51 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020ECA594B80, 16 bytes long.
 Data: < &#228;W&#202;            > 80 E4 57 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020ECA57E480, 40 bytes long.
 Data: < KY&#202;    &#224;&#203;:&#204;    > 80 4B 59 CA 0E 02 00 00 E0 CB 3A CC 0E 02 00 00 
{259} normal block at 0x0000020ECA594C20, 16 bytes long.
 Data: < QY&#202;            > 90 51 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020ECA5943B0, 16 bytes long.
 Data: <hQY&#202;            > 68 51 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020ECA58F400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020ECA5946D0, 16 bytes long.
 Data: <@QY&#202;            > 40 51 59 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020ECA595140, 992 bytes long.
 Data: <&#208;FY&#202;     &#244;X&#202;    > D0 46 59 CA 0E 02 00 00 00 F4 58 CA 0E 02 00 00 
{91} normal block at 0x0000020ECA58EC80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020ECA58E240, 16 bytes long.
 Data: <0&#220;W&#202;            > 30 DC 57 CA 0E 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020ECA57DC30, 40 bytes long.
 Data: <@&#226;X&#202;     &#236;X&#202;    > 40 E2 58 CA 0E 02 00 00 80 EC 58 CA 0E 02 00 00 
{68} normal block at 0x0000020ECA58DBB0, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020ECA58EB00, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020ECA58E380, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020ECA58E100, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020ECA58EA60, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020ECA58DED0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020ECA58DF20, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020ECA58E8D0, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020ECA58E1F0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020ECA58E330, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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