Task 38662389

Name test_1856-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND6860_0
Workunit 31605650
Created 24 Oct 2026, 18:57:42 UTC
Sent 24 Oct 2026, 18:58:15 UTC
Report deadline 29 Oct 2026, 18:58:15 UTC
Received 24 Oct 2026, 19:54:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648286
Run time 22 min 21 sec
CPU time 21 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.01 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:00:01 (10488): wrapper (7.9.26016): starting
21:00:01 (10488): 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
21:00:03 (10488): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:00:03 (10488): 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
21:21:16 (10488): C:/Windows/system32/cmd.exe exited; CPU time 1280.718750
21:21:16 (10488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 14878077 bytes.
Dumping objects ->
{3835261} normal block at 0x000001BB1D27A3A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x000001BB1D27A6B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001BB1D279CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835228} normal block at 0x000001BB1D27A720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001BB1D279C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835186} normal block at 0x000001BB1F0579A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001BB1F0B4FB0, 160 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) : {3835172} normal block at 0x000001BB1D24FFD0, 8 bytes long.
 Data: <  y &#187;   > 00 00 79 1D BB 01 00 00 
{3834575} normal block at 0x000001BB1F0B56B0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833981} normal block at 0x000001BB1D250750, 8 bytes long.
 Data: < &#198;' &#187;   > 20 C6 27 1D BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x000001BB1D252D70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001BB1D2479C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x000001BB1D2571A0, 16 bytes long.
 Data: <xv% &#187;           > 78 76 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001BB1D256750, 16 bytes long.
 Data: <Pv% &#187;           > 50 76 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001BB1D24E5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x000001BB1D2565C0, 16 bytes long.
 Data: <(v% &#187;           > 28 76 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001BB1D256D90, 16 bytes long.
 Data: < v% &#187;           > 00 76 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001BB1D256ED0, 16 bytes long.
 Data: <&#216;u% &#187;           > D8 75 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001BB1D256DE0, 16 bytes long.
 Data: <&#176;u% &#187;           > B0 75 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BB1D250D30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x000001BB1D256570, 16 bytes long.
 Data: <&#248;`% &#187;           > F8 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BB1D24E4C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x000001BB1D256A70, 16 bytes long.
 Data: <&#208;`% &#187;           > D0 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BB1D257010, 16 bytes long.
 Data: <&#168;`% &#187;           > A8 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BB1D257150, 16 bytes long.
 Data: < `% &#187;           > 80 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BB1D256430, 16 bytes long.
 Data: <X`% &#187;           > 58 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BB1D256700, 16 bytes long.
 Data: <0`% &#187;           > 30 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BB1D2571F0, 16 bytes long.
 Data: < `% &#187;           > 08 60 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BB1D24E8E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x000001BB1D2569D0, 16 bytes long.
 Data: <&#224;_% &#187;           > E0 5F 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BB1D255FE0, 320 bytes long.
 Data: <&#208;i% &#187;   &#224;&#232;$ &#187;   > D0 69 25 1D BB 01 00 00 E0 E8 24 1D BB 01 00 00 
{286} normal block at 0x000001BB1D2570B0, 16 bytes long.
 Data: < u% &#187;           > 90 75 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BB1D2563E0, 16 bytes long.
 Data: <hu% &#187;           > 68 75 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BB1D24E160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x000001BB1D2567F0, 16 bytes long.
 Data: <@u% &#187;           > 40 75 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BB1D24EC40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x000001BB1D256B60, 16 bytes long.
 Data: < t% &#187;           > 88 74 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BB1D256BB0, 16 bytes long.
 Data: <`t% &#187;           > 60 74 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BB1D257100, 16 bytes long.
 Data: <8t% &#187;           > 38 74 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BB1D256F70, 16 bytes long.
 Data: < t% &#187;           > 10 74 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BB1D256B10, 16 bytes long.
 Data: <&#232;s% &#187;           > E8 73 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BB1D256390, 16 bytes long.
 Data: <&#192;s% &#187;           > C0 73 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BB1D256980, 16 bytes long.
 Data: <&#224; % &#187;           > E0 0B 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BB1D250BE0, 40 bytes long.
 Data: < i% &#187;   &#160;y  &#187;   > 80 69 25 1D BB 01 00 00 A0 79 05 1F BB 01 00 00 
{272} normal block at 0x000001BB1D256A20, 16 bytes long.
 Data: <&#160;s% &#187;           > A0 73 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BB1D2567A0, 16 bytes long.
 Data: <xs% &#187;           > 78 73 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BB1D24E280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x000001BB1D257060, 16 bytes long.
 Data: <Ps% &#187;           > 50 73 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BB1D257350, 992 bytes long.
 Data: <`p% &#187;    &#226;$ &#187;   > 60 70 25 1D BB 01 00 00 80 E2 24 1D BB 01 00 00 
{104} normal block at 0x000001BB1D24E940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x000001BB1D250250, 16 bytes long.
 Data: <p % &#187;           > 70 0B 25 1D BB 01 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x000001BB1D250B70, 40 bytes long.
 Data: <P % &#187;   @&#233;$ &#187;   > 50 02 25 1D BB 01 00 00 40 E9 24 1D BB 01 00 00 
{81} normal block at 0x000001BB1D24F8A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001BB1D250110, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001BB1D24FA80, 16 bytes long.
 Data: <&#248;W	 &#247;           > F8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001BB1D2507A0, 16 bytes long.
 Data: <&#216;W	 &#247;           > D8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001BB1D250340, 16 bytes long.
 Data: <P 	 &#247;           > 50 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001BB1D24F8F0, 16 bytes long.
 Data: <0 	 &#247;           > 30 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001BB1D250610, 16 bytes long.
 Data: <&#224; 	 &#247;           > E0 02 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001BB1D2505C0, 16 bytes long.
 Data: <  	 &#247;           > 10 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001BB1D24F850, 16 bytes long.
 Data: <p 	 &#247;           > 70 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BB1D2502A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 07 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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