Task 38680645

Name test_946-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4737_0
Workunit 31622355
Created 27 Oct 2026, 0:43:11 UTC
Sent 27 Oct 2026, 0:43:20 UTC
Report deadline 1 Nov 2026, 0:43:20 UTC
Received 27 Oct 2026, 1:30:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 332854
Run time 36 min 44 sec
CPU time 34 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.66 MB
Peak swap size 2.35 GB
Peak disk usage 3.64 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:53:15 (24648): wrapper (7.9.26016): starting
21:53:15 (24648): 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
21:53:17 (24648): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:53:17 (24648): 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
22:30:03 (24648): C:/Windows/system32/cmd.exe exited; CPU time 2061.390625
22:30:03 (24648): 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: 38250975 bytes.
Dumping objects ->
{3835203} normal block at 0x000002130AD55EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000002130AD56C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002130AD56460, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x000002130AD56690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002130AD56000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x000002130C7CC330, 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) : {3835115} normal block at 0x000002130AD27F90, 8 bytes long.
 Data: <  &#200;     > 00 00 C8 0A 13 02 00 00 
{3833949} normal block at 0x000002130AD285D0, 8 bytes long.
 Data: <&#240;&#135;&#139;     > F0 87 8B 0C 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002130AD31550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002130AD1AF30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002130AD33030, 16 bytes long.
 Data: <x<&#211;             > 78 3C D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002130AD33300, 16 bytes long.
 Data: <P<&#211;             > 50 3C D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002130AD2DEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002130AD32F90, 16 bytes long.
 Data: <(<&#211;             > 28 3C D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002130AD334E0, 16 bytes long.
 Data: < <&#211;             > 00 3C D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002130AD333F0, 16 bytes long.
 Data: <&#216;;&#211;             > D8 3B D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002130AD32EA0, 16 bytes long.
 Data: <&#176;;&#211;             > B0 3B D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002130AD2CB40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002130AD32E50, 16 bytes long.
 Data: <X&#199;&#209;             > 58 C7 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002130AD2DE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002130AD32720, 16 bytes long.
 Data: <0&#199;&#209;             > 30 C7 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002130AD32E00, 16 bytes long.
 Data: < &#199;&#209;             > 08 C7 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002130AD32BD0, 16 bytes long.
 Data: <&#224;&#198;&#209;             > E0 C6 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002130AD32810, 16 bytes long.
 Data: <&#184;&#198;&#209;             > B8 C6 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002130AD32B30, 16 bytes long.
 Data: < &#198;&#209;             > 90 C6 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002130AD32D10, 16 bytes long.
 Data: <h&#198;&#209;             > 68 C6 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002130AD2DE00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002130AD32AE0, 16 bytes long.
 Data: <@&#198;&#209;             > 40 C6 D1 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002130AD1C640, 320 bytes long.
 Data: <&#224;*&#211;      &#222;&#210;     > E0 2A D3 0A 13 02 00 00 00 DE D2 0A 13 02 00 00 
{270} normal block at 0x000002130AD32CC0, 16 bytes long.
 Data: < ;&#211;             > 90 3B D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002130AD32C70, 16 bytes long.
 Data: <h;&#211;             > 68 3B D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002130AD2E220, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002130AD32F40, 16 bytes long.
 Data: <@;&#211;             > 40 3B D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002130AD2DDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002130AD332B0, 16 bytes long.
 Data: < :&#211;             > 88 3A D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002130AD32A90, 16 bytes long.
 Data: <`:&#211;             > 60 3A D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002130AD33260, 16 bytes long.
 Data: <8:&#211;             > 38 3A D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002130AD326D0, 16 bytes long.
 Data: < :&#211;             > 10 3A D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002130AD33490, 16 bytes long.
 Data: <&#232;9&#211;             > E8 39 D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002130AD329F0, 16 bytes long.
 Data: <&#192;9&#211;             > C0 39 D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002130AD32950, 16 bytes long.
 Data: <&#160;&#200;&#210;             > A0 C8 D2 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002130AD2C8A0, 40 bytes long.
 Data: <P)&#211;     0&#195;|     > 50 29 D3 0A 13 02 00 00 30 C3 7C 0C 13 02 00 00 
{256} normal block at 0x000002130AD32590, 16 bytes long.
 Data: <&#160;9&#211;             > A0 39 D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002130AD32C20, 16 bytes long.
 Data: <x9&#211;             > 78 39 D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002130AD2E1C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002130AD32900, 16 bytes long.
 Data: <P9&#211;             > 50 39 D3 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002130AD33950, 992 bytes long.
 Data: < )&#211;     &#192;&#225;&#210;     > 00 29 D3 0A 13 02 00 00 C0 E1 D2 0A 13 02 00 00 
{88} normal block at 0x000002130AD2DD40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002130AD28620, 16 bytes long.
 Data: < &#204;&#210;             > 20 CC D2 0A 13 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002130AD2CC20, 40 bytes long.
 Data: < &#134;&#210;     @&#221;&#210;     > 20 86 D2 0A 13 02 00 00 40 DD D2 0A 13 02 00 00 
{65} normal block at 0x000002130AD279A0, 16 bytes long.
 Data: < &#234;&#163;,&#247;           > 80 EA A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002130AD28080, 16 bytes long.
 Data: <@&#233;&#163;,&#247;           > 40 E9 A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002130AD27AE0, 16 bytes long.
 Data: <&#248;W&#160;,&#247;           > F8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002130AD28580, 16 bytes long.
 Data: <&#216;W&#160;,&#247;           > D8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002130AD278B0, 16 bytes long.
 Data: <P &#160;,&#247;           > 50 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002130AD284E0, 16 bytes long.
 Data: <0 &#160;,&#247;           > 30 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002130AD27C20, 16 bytes long.
 Data: <&#224; &#160;,&#247;           > E0 02 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002130AD28490, 16 bytes long.
 Data: <  &#160;,&#247;           > 10 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002130AD27E00, 16 bytes long.
 Data: <p &#160;,&#247;           > 70 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002130AD283A0, 16 bytes long.
 Data: < &#192;&#158;,&#247;           > 18 C0 9E 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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