Task 38665192

Name test_507-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2674_0
Workunit 31608310
Created 25 Oct 2026, 0:48:58 UTC
Sent 25 Oct 2026, 0:53:09 UTC
Report deadline 30 Oct 2026, 0:53:09 UTC
Received 25 Oct 2026, 11:23:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 10 hours 18 min 58 sec
CPU time 9 hours 49 min 53 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.03 MB
Peak swap size 12.92 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:07:01 (27036): wrapper (7.9.26016): starting
19:07:01 (27036): 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
19:07:02 (27036): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:07:02 (27036): 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
05:22:36 (27036): C:/Windows/system32/cmd.exe exited; CPU time 35393.328125
05:22:36 (27036): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 663742549 bytes.
Dumping objects ->
{3835871} normal block at 0x0000026F6D944E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x0000026F6BA055A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x0000026F6BA05530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x0000026F6BA053E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x0000026F6BA05370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x0000026F6D8ECB50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x0000026F6BA2B580, 120 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) : {3835782} normal block at 0x0000026F6B9FE2C0, 8 bytes long.
 Data: <  &#245;ko   > 00 00 F5 6B 6F 02 00 00 
{3834849} normal block at 0x0000026F6BA2A8C0, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000026F6B9FE400, 8 bytes long.
 Data: <@T&#151;mo   > 40 54 97 6D 6F 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000026F6BA022F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000026F6B9F6F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000026F6BA06640, 16 bytes long.
 Data: <xt&#160;ko           > 78 74 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026F6BA06550, 16 bytes long.
 Data: <Pt&#160;ko           > 50 74 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026F6BA00BE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000026F6BA06280, 16 bytes long.
 Data: <(t&#160;ko           > 28 74 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026F6BA06E10, 16 bytes long.
 Data: < t&#160;ko           > 00 74 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026F6BA06820, 16 bytes long.
 Data: <&#216;s&#160;ko           > D8 73 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026F6BA06230, 16 bytes long.
 Data: <&#176;s&#160;ko           > B0 73 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026F6BA05450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000026F6BA06C30, 16 bytes long.
 Data: <&#248;^&#160;ko           > F8 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026F6BA00B20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000026F6BA068C0, 16 bytes long.
 Data: <&#208;^&#160;ko           > D0 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026F6BA066E0, 16 bytes long.
 Data: <&#168;^&#160;ko           > A8 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026F6BA064B0, 16 bytes long.
 Data: < ^&#160;ko           > 80 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026F6BA06410, 16 bytes long.
 Data: <X^&#160;ko           > 58 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026F6BA06AF0, 16 bytes long.
 Data: <0^&#160;ko           > 30 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026F6BA06EB0, 16 bytes long.
 Data: < ^&#160;ko           > 08 5E A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026F6BA00A60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000026F6BA06BE0, 16 bytes long.
 Data: <&#224;]&#160;ko           > E0 5D A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026F6BA05DE0, 320 bytes long.
 Data: <&#224;k&#160;ko   ` &#160;ko   > E0 6B A0 6B 6F 02 00 00 60 0A A0 6B 6F 02 00 00 
{281} normal block at 0x0000026F6BA067D0, 16 bytes long.
 Data: < s&#160;ko           > 90 73 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026F6BA065F0, 16 bytes long.
 Data: <hs&#160;ko           > 68 73 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026F6B9FFDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000026F6BA06E60, 16 bytes long.
 Data: <@s&#160;ko           > 40 73 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026F6BA00160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000026F6BA06B40, 16 bytes long.
 Data: < r&#160;ko           > 88 72 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026F6BA06690, 16 bytes long.
 Data: <`r&#160;ko           > 60 72 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026F6BA06780, 16 bytes long.
 Data: <8r&#160;ko           > 38 72 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026F6BA06500, 16 bytes long.
 Data: < r&#160;ko           > 10 72 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026F6BA070E0, 16 bytes long.
 Data: <&#232;q&#160;ko           > E8 71 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026F6BA06FF0, 16 bytes long.
 Data: <&#192;q&#160;ko           > C0 71 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026F6BA06190, 16 bytes long.
 Data: <&#240;V&#160;ko           > F0 56 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026F6BA056F0, 40 bytes long.
 Data: < a&#160;ko   P&#203;&#142;mo   > 90 61 A0 6B 6F 02 00 00 50 CB 8E 6D 6F 02 00 00 
{267} normal block at 0x0000026F6BA06DC0, 16 bytes long.
 Data: <&#160;q&#160;ko           > A0 71 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026F6BA07090, 16 bytes long.
 Data: <xq&#160;ko           > 78 71 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026F6B9FFF80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000026F6BA06B90, 16 bytes long.
 Data: <Pq&#160;ko           > 50 71 A0 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026F6BA07150, 992 bytes long.
 Data: < k&#160;ko    &#255;&#159;ko   > 90 6B A0 6B 6F 02 00 00 80 FF 9F 6B 6F 02 00 00 
{99} normal block at 0x0000026F6B9FFE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000026F6B9FDD70, 16 bytes long.
 Data: <0 &#159;ko           > 30 07 9F 6B 6F 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000026F6B9F0730, 40 bytes long.
 Data: <p&#221;&#159;ko    &#254;&#159;ko   > 70 DD 9F 6B 6F 02 00 00 00 FE 9F 6B 6F 02 00 00 
{76} normal block at 0x0000026F6B9FE270, 16 bytes long.
 Data: < &#234;&#135;>&#247;           > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000026F6B9FE310, 16 bytes long.
 Data: <@&#233;&#135;>&#247;           > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026F6B9FE720, 16 bytes long.
 Data: <&#248;W&#132;>&#247;           > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026F6B9FDB40, 16 bytes long.
 Data: <&#216;W&#132;>&#247;           > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026F6B9FDE60, 16 bytes long.
 Data: <P &#132;>&#247;           > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026F6B9FE950, 16 bytes long.
 Data: <0 &#132;>&#247;           > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026F6B9FE7C0, 16 bytes long.
 Data: <&#224; &#132;>&#247;           > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026F6B9FDFA0, 16 bytes long.
 Data: <  &#132;>&#247;           > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026F6B9FE220, 16 bytes long.
 Data: <p &#132;>&#247;           > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026F6B9FDAA0, 16 bytes long.
 Data: < &#192;&#130;>&#247;           > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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