Task 38680250

Name test_233-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2425_0
Workunit 31621979
Created 26 Oct 2026, 23:19:42 UTC
Sent 26 Oct 2026, 23:19:50 UTC
Report deadline 31 Oct 2026, 23:19:50 UTC
Received 27 Oct 2026, 0:58:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 32 min 42 sec
CPU time 32 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.43 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:21:07 (3780): wrapper (7.9.26016): starting
02:21:07 (3780): 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
02:21:08 (3780): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:21:08 (3780): 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\24\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\24\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
02:57:36 (3780): C:/Windows/system32/cmd.exe exited; CPU time 1932.609375
02:57:36 (3780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 28700725 bytes.
Dumping objects ->
{3835255} normal block at 0x000001B9CB493150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001B9CB493930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001B9CB493230, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001B9CB493310, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001B9CB493000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001B9CCEEE9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001B9CB46D020, 180 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) : {3835166} normal block at 0x000001B9CB4659C0, 8 bytes long.
 Data: <   &#205;    > 00 00 0F CD B9 01 00 00 
{3834558} normal block at 0x000001B9CB46C210, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001B9CB466370, 8 bytes long.
 Data: <&#208;&#212; &#205;    > D0 D4 01 CD B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B9CB46E350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B9CB455010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001B9CB470290, 16 bytes long.
 Data: <h	G&#203;            > 68 09 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B9CB4701F0, 16 bytes long.
 Data: <@	G&#203;            > 40 09 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B9CB469DF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001B9CB46F570, 16 bytes long.
 Data: < 	G&#203;            > 18 09 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B9CB46FC00, 16 bytes long.
 Data: <&#240; G&#203;            > F0 08 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B9CB4701A0, 16 bytes long.
 Data: <&#200; G&#203;            > C8 08 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B9CB470150, 16 bytes long.
 Data: <&#160; G&#203;            > A0 08 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B9CB468550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001B9CB46FD40, 16 bytes long.
 Data: <&#168;&#151;F&#203;            > A8 97 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B9CB46A150, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001B9CB46FDE0, 16 bytes long.
 Data: <&#128;&#151;F&#203;            > 80 97 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B9CB46FED0, 16 bytes long.
 Data: <X&#151;F&#203;            > 58 97 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9CB46FB60, 16 bytes long.
 Data: <0&#151;F&#203;            > 30 97 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B9CB46F660, 16 bytes long.
 Data: < &#151;F&#203;            > 08 97 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B9CB46F610, 16 bytes long.
 Data: <&#224;&#150;F&#203;            > E0 96 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B9CB46FA70, 16 bytes long.
 Data: <&#184;&#150;F&#203;            > B8 96 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B9CB469CD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001B9CB46FE30, 16 bytes long.
 Data: <&#144;&#150;F&#203;            > 90 96 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9CB469690, 320 bytes long.
 Data: <0&#254;F&#203;    &#208;&#156;F&#203;    > 30 FE 46 CB B9 01 00 00 D0 9C 46 CB B9 01 00 00 
{273} normal block at 0x000001B9CB4703D0, 16 bytes long.
 Data: <&#128; G&#203;            > 80 08 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B9CB46F930, 16 bytes long.
 Data: <X G&#203;            > 58 08 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B9CB46A0F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001B9CB470100, 16 bytes long.
 Data: <0 G&#203;            > 30 08 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B9CB469EB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001B9CB46F9D0, 16 bytes long.
 Data: <x G&#203;            > 78 07 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B9CB470060, 16 bytes long.
 Data: <P G&#203;            > 50 07 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9CB46FBB0, 16 bytes long.
 Data: <( G&#203;            > 28 07 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B9CB46FCA0, 16 bytes long.
 Data: <  G&#203;            > 00 07 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B9CB46F5C0, 16 bytes long.
 Data: <&#216; G&#203;            > D8 06 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B9CB46F7F0, 16 bytes long.
 Data: <&#176; G&#203;            > B0 06 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B9CB46FFC0, 16 bytes long.
 Data: <&#192;&#133;F&#203;            > C0 85 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B9CB4685C0, 40 bytes long.
 Data: <&#192;&#255;F&#203;    &#160;&#233;&#238;&#204;    > C0 FF 46 CB B9 01 00 00 A0 E9 EE CC B9 01 00 00 
{259} normal block at 0x000001B9CB46FD90, 16 bytes long.
 Data: <&#144; G&#203;            > 90 06 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B9CB46F8E0, 16 bytes long.
 Data: <h G&#203;            > 68 06 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B9CB46A450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001B9CB46F4D0, 16 bytes long.
 Data: <@ G&#203;            > 40 06 47 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B9CB470640, 992 bytes long.
 Data: <&#208;&#244;F&#203;    P&#164;F&#203;    > D0 F4 46 CB B9 01 00 00 50 A4 46 CB B9 01 00 00 
{91} normal block at 0x000001B9CB469D30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001B9CB465A10, 16 bytes long.
 Data: <&#208; F&#203;            > D0 88 46 CB B9 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B9CB4688D0, 40 bytes long.
 Data: < ZF&#203;    0&#157;F&#203;    > 10 5A 46 CB B9 01 00 00 30 9D 46 CB B9 01 00 00 
{68} normal block at 0x000001B9CB465E20, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B9CB465880, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B9CB465970, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B9CB465790, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B9CB465830, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B9CB465CE0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B9CB465D80, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B9CB4663C0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B9CB465740, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B9CB4660F0, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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