Task 38681680

Name test_604-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5140_0
Workunit 31623336
Created 27 Oct 2026, 4:55:48 UTC
Sent 27 Oct 2026, 4:55:50 UTC
Report deadline 1 Nov 2026, 4:55:50 UTC
Received 27 Oct 2026, 5:34:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 37 min 7 sec
CPU time 35 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.23 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:58:23 (27536): wrapper (7.9.26016): starting
00:58:23 (27536): 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
00:58:25 (27536): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:58:25 (27536): 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\3\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\3\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
01:34:38 (27536): C:/Windows/system32/cmd.exe exited; CPU time 2118.484375
01:34:38 (27536): 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: 33332743 bytes.
Dumping objects ->
{3835479} normal block at 0x00000162149460D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x00000162149465A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000016214946530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x00000162149461B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000016214946290, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x00000162165CC0F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x00000162165DFE70, 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) : {3835390} normal block at 0x0000016214941C10, 8 bytes long.
 Data: <    b   > 00 00 8F 14 62 01 00 00 
{3834663} normal block at 0x00000162165DF790, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000016214941AD0, 8 bytes long.
 Data: < Be b   > 80 42 65 16 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000016214942090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016214938030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000016214946F30, 16 bytes long.
 Data: <&#184;k&#148; b           > B8 6B 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016214946EE0, 16 bytes long.
 Data: < k&#148; b           > 90 6B 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000162149409D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000016214947340, 16 bytes long.
 Data: <hk&#148; b           > 68 6B 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016214947110, 16 bytes long.
 Data: <@k&#148; b           > 40 6B 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016214947390, 16 bytes long.
 Data: < k&#148; b           > 18 6B 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016214947570, 16 bytes long.
 Data: <&#240;j&#148; b           > F0 6A 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000162149467D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000016214947840, 16 bytes long.
 Data: <  &#147; b           > 18 0E 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016214940730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000016214947AC0, 16 bytes long.
 Data: <&#240; &#147; b           > F0 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016214947070, 16 bytes long.
 Data: <&#200; &#147; b           > C8 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016214946E40, 16 bytes long.
 Data: <&#160; &#147; b           > A0 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016214946E90, 16 bytes long.
 Data: <x &#147; b           > 78 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016214946DA0, 16 bytes long.
 Data: <P &#147; b           > 50 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016214946FD0, 16 bytes long.
 Data: <( &#147; b           > 28 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000162149408B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000016214947A70, 16 bytes long.
 Data: <  &#147; b           > 00 0D 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016214930D00, 320 bytes long.
 Data: <pz&#148; b   &#176; &#148; b   > 70 7A 94 14 62 01 00 00 B0 08 94 14 62 01 00 00 
{272} normal block at 0x0000016214946F80, 16 bytes long.
 Data: <&#208;j&#148; b           > D0 6A 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016214946D50, 16 bytes long.
 Data: <&#168;j&#148; b           > A8 6A 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001621493FF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000016214947980, 16 bytes long.
 Data: < j&#148; b           > 80 6A 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016214940850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000016214947A20, 16 bytes long.
 Data: <&#200;i&#148; b           > C8 69 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016214947200, 16 bytes long.
 Data: <&#160;i&#148; b           > A0 69 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016214947020, 16 bytes long.
 Data: <xi&#148; b           > 78 69 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000162149477F0, 16 bytes long.
 Data: <Pi&#148; b           > 50 69 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016214940EA0, 16 bytes long.
 Data: <(i&#148; b           > 28 69 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016214941530, 16 bytes long.
 Data: < i&#148; b           > 00 69 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000162149414E0, 16 bytes long.
 Data: <`g&#148; b           > 60 67 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016214946760, 40 bytes long.
 Data: <&#224; &#148; b   &#240;&#192;\ b   > E0 14 94 14 62 01 00 00 F0 C0 5C 16 62 01 00 00 
{258} normal block at 0x0000016214940DB0, 16 bytes long.
 Data: <&#224;h&#148; b           > E0 68 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000162149413F0, 16 bytes long.
 Data: <&#184;h&#148; b           > B8 68 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001621493FEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000016214941710, 16 bytes long.
 Data: < h&#148; b           > 90 68 94 14 62 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016214946890, 992 bytes long.
 Data: <  &#148; b   &#240;&#254;&#147; b   > 10 17 94 14 62 01 00 00 F0 FE 93 14 62 01 00 00 
{90} normal block at 0x00000162149401F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000016214941030, 16 bytes long.
 Data: < 	&#147; b           > 90 09 93 14 62 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000016214930990, 40 bytes long.
 Data: <0 &#148; b   &#240; &#148; b   > 30 10 94 14 62 01 00 00 F0 01 94 14 62 01 00 00 
{67} normal block at 0x00000162149412B0, 16 bytes long.
 Data: < &#234;+&#214;&#247;           > 80 EA 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016214940EF0, 16 bytes long.
 Data: <@&#233;+&#214;&#247;           > 40 E9 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016214941760, 16 bytes long.
 Data: <&#248;W(&#214;&#247;           > F8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016214940CC0, 16 bytes long.
 Data: <&#216;W(&#214;&#247;           > D8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000162149411C0, 16 bytes long.
 Data: <P (&#214;&#247;           > 50 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016214941B20, 16 bytes long.
 Data: <0 (&#214;&#247;           > 30 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016214941670, 16 bytes long.
 Data: <&#224; (&#214;&#247;           > E0 02 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016214940D10, 16 bytes long.
 Data: <  (&#214;&#247;           > 10 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000162149413A0, 16 bytes long.
 Data: <p (&#214;&#247;           > 70 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016214940F40, 16 bytes long.
 Data: < &#192;&&#214;&#247;           > 18 C0 26 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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