Task 38680242

Name test_580-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8245_2
Workunit 31620275
Created 26 Oct 2026, 23:17:16 UTC
Sent 26 Oct 2026, 23:17:21 UTC
Report deadline 31 Oct 2026, 23:17:21 UTC
Received 26 Oct 2026, 23:57:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 20 min 6 sec
CPU time 17 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.99 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:37:28 (8156): wrapper (7.9.26016): starting
00:37:28 (8156): 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
00:37:29 (8156): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:37:29 (8156): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
00:57:02 (8156): C:/Windows/system32/cmd.exe exited; CPU time 1037.593750
00:57:02 (8156): 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: 21841035 bytes.
Dumping objects ->
{3835289} normal block at 0x00000194A172A090, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x00000194A172A870, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x00000194A1705180, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x00000194A1705420, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x00000194A1705110, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x00000194A3377630, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x00000194A338EAD0, 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) : {3835200} normal block at 0x00000194A16FD770, 8 bytes long.
 Data: <  h&#161;&#148;   > 00 00 68 A1 94 01 00 00 
{3834573} normal block at 0x00000194A338F3C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000194A16FDCC0, 8 bytes long.
 Data: <P_=&#163;&#148;   > 50 5F 3D A3 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000194A1701470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000194A16F6750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000194A17060D0, 16 bytes long.
 Data: < lp&#161;&#148;           > 88 6C 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000194A1706670, 16 bytes long.
 Data: <`lp&#161;&#148;           > 60 6C 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000194A16FFA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000194A1705D10, 16 bytes long.
 Data: <8lp&#161;&#148;           > 38 6C 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000194A1705C20, 16 bytes long.
 Data: < lp&#161;&#148;           > 10 6C 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000194A17059F0, 16 bytes long.
 Data: <&#232;kp&#161;&#148;           > E8 6B 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000194A17059A0, 16 bytes long.
 Data: <&#192;kp&#161;&#148;           > C0 6B 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000194A1704E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000194A17064E0, 16 bytes long.
 Data: < &#147;o&#161;&#148;           > 98 93 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000194A16FFEC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000194A1706030, 16 bytes long.
 Data: <p&#147;o&#161;&#148;           > 70 93 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000194A1706620, 16 bytes long.
 Data: <H&#147;o&#161;&#148;           > 48 93 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000194A17065D0, 16 bytes long.
 Data: < &#147;o&#161;&#148;           > 20 93 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000194A1706800, 16 bytes long.
 Data: <&#248;&#146;o&#161;&#148;           > F8 92 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000194A17068F0, 16 bytes long.
 Data: <&#208;&#146;o&#161;&#148;           > D0 92 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000194A1705EA0, 16 bytes long.
 Data: <&#168;&#146;o&#161;&#148;           > A8 92 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000194A16FF9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000194A1705A40, 16 bytes long.
 Data: < &#146;o&#161;&#148;           > 80 92 6F A1 94 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000194A16F9280, 320 bytes long.
 Data: <@Zp&#161;&#148;   &#224;&#249;o&#161;&#148;   > 40 5A 70 A1 94 01 00 00 E0 F9 6F A1 94 01 00 00 
{278} normal block at 0x00000194A1705A90, 16 bytes long.
 Data: <&#160;kp&#161;&#148;           > A0 6B 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000194A17067B0, 16 bytes long.
 Data: <xkp&#161;&#148;           > 78 6B 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000194A16FF3E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000194A1706210, 16 bytes long.
 Data: <Pkp&#161;&#148;           > 50 6B 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000194A16FFCE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000194A1705DB0, 16 bytes long.
 Data: < jp&#161;&#148;           > 98 6A 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000194A1706170, 16 bytes long.
 Data: <pjp&#161;&#148;           > 70 6A 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000194A1705FE0, 16 bytes long.
 Data: <Hjp&#161;&#148;           > 48 6A 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000194A1706080, 16 bytes long.
 Data: < jp&#161;&#148;           > 20 6A 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000194A1705CC0, 16 bytes long.
 Data: <&#248;ip&#161;&#148;           > F8 69 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000194A1706490, 16 bytes long.
 Data: <&#208;ip&#161;&#148;           > D0 69 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000194A1706760, 16 bytes long.
 Data: < Tp&#161;&#148;           > 90 54 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000194A1705490, 40 bytes long.
 Data: <`gp&#161;&#148;   0v7&#163;&#148;   > 60 67 70 A1 94 01 00 00 30 76 37 A3 94 01 00 00 
{264} normal block at 0x00000194A1706530, 16 bytes long.
 Data: <&#176;ip&#161;&#148;           > B0 69 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000194A1706120, 16 bytes long.
 Data: < ip&#161;&#148;           > 88 69 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000194A16FF260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000194A1705BD0, 16 bytes long.
 Data: <`ip&#161;&#148;           > 60 69 70 A1 94 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000194A1706960, 992 bytes long.
 Data: <&#208;[p&#161;&#148;   `&#242;o&#161;&#148;   > D0 5B 70 A1 94 01 00 00 60 F2 6F A1 94 01 00 00 
{96} normal block at 0x00000194A16FF500, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000194A16FE120, 16 bytes long.
 Data: <&#224;&#232;n&#161;&#148;           > E0 E8 6E A1 94 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000194A16EE8E0, 40 bytes long.
 Data: < &#225;o&#161;&#148;    &#245;o&#161;&#148;   > 20 E1 6F A1 94 01 00 00 00 F5 6F A1 94 01 00 00 
{73} normal block at 0x00000194A16FDDB0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000194A16FE0D0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000194A16FDD60, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000194A16FDA40, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000194A16FD6D0, 16 bytes long.
 Data: <P   &#247;           > 50 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000194A16FD8B0, 16 bytes long.
 Data: <0   &#247;           > 30 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000194A16FE260, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000194A16FDF40, 16 bytes long.
 Data: <    &#247;           > 10 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000194A16FDBD0, 16 bytes long.
 Data: <p   &#247;           > 70 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000194A16FD7C0, 16 bytes long.
 Data: < &#192;&#255; &#247;           > 18 C0 FF 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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