Task 38675957

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND0592_0
Workunit 31617899
Created 26 Oct 2026, 9:49:42 UTC
Sent 26 Oct 2026, 9:49:49 UTC
Report deadline 31 Oct 2026, 9:49:49 UTC
Received 26 Oct 2026, 10:38:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 43 min 56 sec
CPU time 39 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.82 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:55:16 (42640): wrapper (7.9.26016): starting
03:55:16 (42640): 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
03:55:17 (42640): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:55:17 (42640): 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\12\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\12\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
04:38:29 (42640): C:/Windows/system32/cmd.exe exited; CPU time 2379.500000
04:38:29 (42640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 55641893 bytes.
Dumping objects ->
{3835232} normal block at 0x0000021085ECC9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000021084254BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000021084254B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x0000021084254970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x0000021084254F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x0000021085F17120, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x00000210842BA320, 140 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) : {3835143} normal block at 0x000002108424F2D0, 8 bytes long.
 Data: <  l&#132;    > 00 00 6C 84 10 02 00 00 
{3834543} normal block at 0x00000210842BA9A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002108424F280, 8 bytes long.
 Data: <`J&#250;&#133;    > 60 4A FA 85 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000210842512A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021084246540, 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 0x0000021084255A60, 16 bytes long.
 Data: <&#248;g%&#132;            > F8 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021084256280, 16 bytes long.
 Data: <&#208;g%&#132;            > D0 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002108424FF70, 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 0x0000021084256050, 16 bytes long.
 Data: <&#168;g%&#132;            > A8 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021084255B50, 16 bytes long.
 Data: < g%&#132;            > 80 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021084255A10, 16 bytes long.
 Data: <Xg%&#132;            > 58 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021084255510, 16 bytes long.
 Data: <0g%&#132;            > 30 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021084254A50, 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 0x00000210842558D0, 16 bytes long.
 Data: <&#200;&#231;$&#132;            > C8 E7 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021084250510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000210842557E0, 16 bytes long.
 Data: <&#160;&#231;$&#132;            > A0 E7 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021084255F60, 16 bytes long.
 Data: <x&#231;$&#132;            > 78 E7 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021084255880, 16 bytes long.
 Data: <P&#231;$&#132;            > 50 E7 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021084255F10, 16 bytes long.
 Data: <(&#231;$&#132;            > 28 E7 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000210842556F0, 16 bytes long.
 Data: < &#231;$&#132;            > 00 E7 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021084256460, 16 bytes long.
 Data: <&#216;&#230;$&#132;            > D8 E6 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021084250630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021084255FB0, 16 bytes long.
 Data: <&#176;&#230;$&#132;            > B0 E6 24 84 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002108424E6B0, 320 bytes long.
 Data: <&#176;_%&#132;    0 %&#132;    > B0 5F 25 84 10 02 00 00 30 06 25 84 10 02 00 00 
{276} normal block at 0x0000021084255EC0, 16 bytes long.
 Data: < g%&#132;            > 10 67 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021084255650, 16 bytes long.
 Data: <&#232;f%&#132;            > E8 66 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000210842504B0, 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 0x00000210842555B0, 16 bytes long.
 Data: <&#192;f%&#132;            > C0 66 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000210842501B0, 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 0x0000021084256190, 16 bytes long.
 Data: < f%&#132;            > 08 66 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210842561E0, 16 bytes long.
 Data: <&#224;e%&#132;            > E0 65 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021084256370, 16 bytes long.
 Data: <&#184;e%&#132;            > B8 65 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021084255DD0, 16 bytes long.
 Data: < e%&#132;            > 90 65 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021084255970, 16 bytes long.
 Data: <he%&#132;            > 68 65 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021084255600, 16 bytes long.
 Data: <@e%&#132;            > 40 65 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000210842559C0, 16 bytes long.
 Data: < L%&#132;            > 80 4C 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021084254C80, 40 bytes long.
 Data: <&#192;Y%&#132;     q&#241;&#133;    > C0 59 25 84 10 02 00 00 20 71 F1 85 10 02 00 00 
{262} normal block at 0x0000021084256230, 16 bytes long.
 Data: < e%&#132;            > 20 65 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021084256000, 16 bytes long.
 Data: <&#248;d%&#132;            > F8 64 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000210842503F0, 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 0x0000021084255B00, 16 bytes long.
 Data: <&#208;d%&#132;            > D0 64 25 84 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000210842564D0, 992 bytes long.
 Data: < [%&#132;    &#240; %&#132;    > 00 5B 25 84 10 02 00 00 F0 03 25 84 10 02 00 00 
{94} normal block at 0x0000021084250270, 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 0x000002108424EBA0, 16 bytes long.
 Data: <&#192;&#230;#&#132;            > C0 E6 23 84 10 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002108423E6C0, 40 bytes long.
 Data: <&#160;&#235;$&#132;    p %&#132;    > A0 EB 24 84 10 02 00 00 70 02 25 84 10 02 00 00 
{71} normal block at 0x000002108424EDD0, 16 bytes long.
 Data: < &#234;&#159;&#172;&#247;           > 80 EA 9F AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002108424F730, 16 bytes long.
 Data: <@&#233;&#159;&#172;&#247;           > 40 E9 9F AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002108424F6E0, 16 bytes long.
 Data: <&#248;W&#156;&#172;&#247;           > F8 57 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002108424EA60, 16 bytes long.
 Data: <&#216;W&#156;&#172;&#247;           > D8 57 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002108424F370, 16 bytes long.
 Data: <P &#156;&#172;&#247;           > 50 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002108424F500, 16 bytes long.
 Data: <0 &#156;&#172;&#247;           > 30 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002108424F780, 16 bytes long.
 Data: <&#224; &#156;&#172;&#247;           > E0 02 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002108424F4B0, 16 bytes long.
 Data: <  &#156;&#172;&#247;           > 10 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002108424F230, 16 bytes long.
 Data: <p &#156;&#172;&#247;           > 70 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002108424EB00, 16 bytes long.
 Data: < &#192;&#154;&#172;&#247;           > 18 C0 9A AC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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