Task 38684548

Name test_849-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0613_0
Workunit 31626059
Created 27 Oct 2026, 16:53:56 UTC
Sent 27 Oct 2026, 16:54:03 UTC
Report deadline 1 Nov 2026, 16:54:03 UTC
Received 27 Oct 2026, 17:44:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 22 min 21 sec
CPU time 19 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.36 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:17:15 (20520): wrapper (7.9.26016): starting
17:17:15 (20520): 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
17:17:16 (20520): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:17:16 (20520): 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\61\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\61\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
17:42:35 (20520): C:/Windows/system32/cmd.exe exited; CPU time 1149.921875
17:42:35 (20520): 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: 29721913 bytes.
Dumping objects ->
{3835192} normal block at 0x000002C1E831C500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000002C1E831CCE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000002C1E831C420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x000002C1E66148D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002C1E6614CC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x000002C1E83651D0, 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) : {3835104} normal block at 0x000002C1E660F810, 8 bytes long.
 Data: <  &#162;&#230;&#193;   > 00 00 A2 E6 C1 02 00 00 
{3833961} normal block at 0x000002C1E66102B0, 8 bytes long.
 Data: <0D<&#232;&#193;   > 30 44 3C E8 C1 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002C1E6606850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C1E6607490, 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 0x000002C1E6615EE0, 16 bytes long.
 Data: < ea&#230;&#193;           > 98 65 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C1E6615E90, 16 bytes long.
 Data: <pea&#230;&#193;           > 70 65 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C1E6610900, 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 0x000002C1E6616070, 16 bytes long.
 Data: <Hea&#230;&#193;           > 48 65 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C1E66154E0, 16 bytes long.
 Data: < ea&#230;&#193;           > 20 65 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C1E6616020, 16 bytes long.
 Data: <&#248;da&#230;&#193;           > F8 64 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C1E6615C60, 16 bytes long.
 Data: <&#208;da&#230;&#193;           > D0 64 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C1E6614A20, 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 0x000002C1E6615800, 16 bytes long.
 Data: < &#249;_&#230;&#193;           > 88 F9 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C1E6610B40, 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 0x000002C1E66159E0, 16 bytes long.
 Data: <`&#249;_&#230;&#193;           > 60 F9 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C1E6615FD0, 16 bytes long.
 Data: <8&#249;_&#230;&#193;           > 38 F9 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C1E66155D0, 16 bytes long.
 Data: < &#249;_&#230;&#193;           > 10 F9 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C1E66153F0, 16 bytes long.
 Data: <&#232;&#248;_&#230;&#193;           > E8 F8 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C1E6616110, 16 bytes long.
 Data: <&#192;&#248;_&#230;&#193;           > C0 F8 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C1E66152B0, 16 bytes long.
 Data: < &#248;_&#230;&#193;           > 98 F8 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C1E66108A0, 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 0x000002C1E66153A0, 16 bytes long.
 Data: <p&#248;_&#230;&#193;           > 70 F8 5F E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C1E65FF870, 320 bytes long.
 Data: <&#160;Sa&#230;&#193;   &#160; a&#230;&#193;   > A0 53 61 E6 C1 02 00 00 A0 08 61 E6 C1 02 00 00 
{276} normal block at 0x000002C1E6615490, 16 bytes long.
 Data: <&#176;da&#230;&#193;           > B0 64 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C1E66161B0, 16 bytes long.
 Data: < da&#230;&#193;           > 88 64 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C1E66110E0, 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 0x000002C1E66158A0, 16 bytes long.
 Data: <`da&#230;&#193;           > 60 64 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C1E6611620, 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 0x000002C1E6615DF0, 16 bytes long.
 Data: <&#168;ca&#230;&#193;           > A8 63 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C1E6615990, 16 bytes long.
 Data: < ca&#230;&#193;           > 80 63 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C1E6615A80, 16 bytes long.
 Data: <Xca&#230;&#193;           > 58 63 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C1E6615C10, 16 bytes long.
 Data: <0ca&#230;&#193;           > 30 63 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C1E6615E40, 16 bytes long.
 Data: < ca&#230;&#193;           > 08 63 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C1E6615AD0, 16 bytes long.
 Data: <&#224;ba&#230;&#193;           > E0 62 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C1E6615440, 16 bytes long.
 Data: <pKa&#230;&#193;           > 70 4B 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C1E6614B70, 40 bytes long.
 Data: <@Ta&#230;&#193;   &#208;Q6&#232;&#193;   > 40 54 61 E6 C1 02 00 00 D0 51 36 E8 C1 02 00 00 
{262} normal block at 0x000002C1E6615CB0, 16 bytes long.
 Data: <&#192;ba&#230;&#193;           > C0 62 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C1E66158F0, 16 bytes long.
 Data: < ba&#230;&#193;           > 98 62 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C1E6610F60, 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 0x000002C1E6615530, 16 bytes long.
 Data: <pba&#230;&#193;           > 70 62 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C1E6616270, 992 bytes long.
 Data: <0Ua&#230;&#193;   ` a&#230;&#193;   > 30 55 61 E6 C1 02 00 00 60 0F 61 E6 C1 02 00 00 
{94} normal block at 0x000002C1E6610840, 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 0x000002C1E660F9F0, 16 bytes long.
 Data: <&#160;Ma&#230;&#193;           > A0 4D 61 E6 C1 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002C1E6614DA0, 40 bytes long.
 Data: <&#240;&#249;`&#230;&#193;   @ a&#230;&#193;   > F0 F9 60 E6 C1 02 00 00 40 08 61 E6 C1 02 00 00 
{71} normal block at 0x000002C1E6610030, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C1E660FEA0, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C1E660F950, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C1E6610300, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C1E660F770, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C1E6610530, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C1E6610210, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C1E66101C0, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C1E660FE00, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C1E66105D0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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