Task 38654690

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND6290_1
Workunit 31598357
Created 24 Oct 2026, 7:44:36 UTC
Sent 24 Oct 2026, 7:44:43 UTC
Report deadline 29 Oct 2026, 7:44:43 UTC
Received 24 Oct 2026, 8:40:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 25 min 23 sec
CPU time 23 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.66 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:15:49 (11028): wrapper (7.9.26016): starting
03:15:49 (11028): 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
03:15:50 (11028): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:15:50 (11028): 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
03:40:23 (11028): C:/Windows/system32/cmd.exe exited; CPU time 1409.921875
03:40:23 (11028): 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: 37252243 bytes.
Dumping objects ->
{3835258} normal block at 0x000002B2BFA8D170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000002B2BDC04A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002B2BDC048B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000002B2BDC047D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002B2BDC04990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000002B2BFADB2A0, 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) : {3835170} normal block at 0x000002B2BDBFF090, 8 bytes long.
 Data: <   &#190;&#178;   > 00 00 11 BE B2 02 00 00 
{3833959} normal block at 0x000002B2BDBFF040, 8 bytes long.
 Data: <`&#227;&#158;&#191;&#178;   > 60 E3 9E BF B2 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002B2BDC00980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B2BDBF65C0, 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 0x000002B2BDC06200, 16 bytes long.
 Data: <&#248;W&#192;&#189;&#178;           > F8 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B2BDC062F0, 16 bytes long.
 Data: <&#208;W&#192;&#189;&#178;           > D0 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B2BDBFF950, 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 0x000002B2BDC063E0, 16 bytes long.
 Data: <&#168;W&#192;&#189;&#178;           > A8 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B2BDC06840, 16 bytes long.
 Data: < W&#192;&#189;&#178;           > 80 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B2BDC05A80, 16 bytes long.
 Data: <XW&#192;&#189;&#178;           > 58 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B2BDC061B0, 16 bytes long.
 Data: <0W&#192;&#189;&#178;           > 30 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B2BDC04D80, 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 0x000002B2BDC06160, 16 bytes long.
 Data: <&#232; &#191;&#189;&#178;           > E8 90 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B2BDC00490, 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 0x000002B2BDC05B20, 16 bytes long.
 Data: <&#192; &#191;&#189;&#178;           > C0 90 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B2BDC05E40, 16 bytes long.
 Data: <  &#191;&#189;&#178;           > 98 90 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B2BDC05940, 16 bytes long.
 Data: <p &#191;&#189;&#178;           > 70 90 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B2BDC065C0, 16 bytes long.
 Data: <H &#191;&#189;&#178;           > 48 90 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B2BDC06110, 16 bytes long.
 Data: <  &#191;&#189;&#178;           > 20 90 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B2BDC06750, 16 bytes long.
 Data: <&#248; &#191;&#189;&#178;           > F8 8F BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B2BDBFFA10, 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 0x000002B2BDC060C0, 16 bytes long.
 Data: <&#208; &#191;&#189;&#178;           > D0 8F BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B2BDBF8FD0, 320 bytes long.
 Data: <&#192;`&#192;&#189;&#178;    &#250;&#191;&#189;&#178;   > C0 60 C0 BD B2 02 00 00 10 FA BF BD B2 02 00 00 
{275} normal block at 0x000002B2BDC05AD0, 16 bytes long.
 Data: < W&#192;&#189;&#178;           > 10 57 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B2BDC05D00, 16 bytes long.
 Data: <&#232;V&#192;&#189;&#178;           > E8 56 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B2BDC000D0, 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 0x000002B2BDC05C60, 16 bytes long.
 Data: <&#192;V&#192;&#189;&#178;           > C0 56 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B2BDC00190, 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 0x000002B2BDC066B0, 16 bytes long.
 Data: < V&#192;&#189;&#178;           > 08 56 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B2BDC06660, 16 bytes long.
 Data: <&#224;U&#192;&#189;&#178;           > E0 55 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B2BDC05A30, 16 bytes long.
 Data: <&#184;U&#192;&#189;&#178;           > B8 55 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B2BDC06700, 16 bytes long.
 Data: < U&#192;&#189;&#178;           > 90 55 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B2BDC05C10, 16 bytes long.
 Data: <hU&#192;&#189;&#178;           > 68 55 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B2BDBFEFF0, 16 bytes long.
 Data: <@U&#192;&#189;&#178;           > 40 55 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B2BDBFEFA0, 16 bytes long.
 Data: <PK&#192;&#189;&#178;           > 50 4B C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B2BDC04B50, 40 bytes long.
 Data: <&#160;&#239;&#191;&#189;&#178;   &#160;&#178;&#173;&#191;&#178;   > A0 EF BF BD B2 02 00 00 A0 B2 AD BF B2 02 00 00 
{261} normal block at 0x000002B2BDBFEE10, 16 bytes long.
 Data: < U&#192;&#189;&#178;           > 20 55 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B2BDBFEA50, 16 bytes long.
 Data: <&#248;T&#192;&#189;&#178;           > F8 54 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B2BDBFFF50, 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 0x000002B2BDBFF770, 16 bytes long.
 Data: <&#208;T&#192;&#189;&#178;           > D0 54 C0 BD B2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B2BDC054D0, 992 bytes long.
 Data: <p&#247;&#191;&#189;&#178;   P&#255;&#191;&#189;&#178;   > 70 F7 BF BD B2 02 00 00 50 FF BF BD B2 02 00 00 
{93} normal block at 0x000002B2BDC005B0, 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 0x000002B2BDBFE820, 16 bytes long.
 Data: < &#231;&#191;&#189;&#178;           > 20 E7 BF BD B2 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002B2BDBFE720, 40 bytes long.
 Data: < &#232;&#191;&#189;&#178;   &#176; &#192;&#189;&#178;   > 20 E8 BF BD B2 02 00 00 B0 05 C0 BD B2 02 00 00 
{70} normal block at 0x000002B2BDBFF590, 16 bytes long.
 Data: < &#234;&#247; &#246;           > 80 EA F7 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B2BDBFF130, 16 bytes long.
 Data: <@&#233;&#247; &#246;           > 40 E9 F7 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B2BDBFF220, 16 bytes long.
 Data: <&#248;W&#244; &#246;           > F8 57 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B2BDBFEF50, 16 bytes long.
 Data: <&#216;W&#244; &#246;           > D8 57 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B2BDBFE910, 16 bytes long.
 Data: <P &#244; &#246;           > 50 04 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B2BDBFEBE0, 16 bytes long.
 Data: <0 &#244; &#246;           > 30 04 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B2BDBFF1D0, 16 bytes long.
 Data: <&#224; &#244; &#246;           > E0 02 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B2BDBFF0E0, 16 bytes long.
 Data: <  &#244; &#246;           > 10 04 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B2BDBFEAA0, 16 bytes long.
 Data: <p &#244; &#246;           > 70 04 F4 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B2BDBFF4A0, 16 bytes long.
 Data: < &#192;&#242; &#246;           > 18 C0 F2 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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