Task 38681865

Name test_95-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1486_0
Workunit 31623509
Created 27 Oct 2026, 5:41:27 UTC
Sent 27 Oct 2026, 5:41:32 UTC
Report deadline 1 Nov 2026, 5:41:32 UTC
Received 27 Oct 2026, 6:42:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 22 sec
CPU time 28 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.86 MB
Peak swap size 6.90 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:13:24 (13016): wrapper (7.9.26016): starting
01:13:24 (13016): 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
01:13:26 (13016): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:26 (13016): 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
01:42:10 (13016): C:/Windows/system32/cmd.exe exited; CPU time 1691.125000
01:42:10 (13016): 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: 21573321 bytes.
Dumping objects ->
{3835234} normal block at 0x0000025D5F82DAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000025D5DC54D90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000025D5DC54D20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000025D5DC54CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000025D5DC54B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000025D5F875100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000025D5F88E940, 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) : {3835145} normal block at 0x0000025D5DC4EBB0, 8 bytes long.
 Data: <  `_]   > 00 00 60 5F 5D 02 00 00 
{3834542} normal block at 0x0000025D5F88E470, 102 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 0x0000025D5DC4EF70, 8 bytes long.
 Data: < 9 _]   > 80 39 8D 5F 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025D5DC50770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025D5DC46560, 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 0x0000025D5DC55750, 16 bytes long.
 Data: < e&#197;]]           > 88 65 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025D5DC560B0, 16 bytes long.
 Data: <`e&#197;]]           > 60 65 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025D5DC50240, 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 0x0000025D5DC55CA0, 16 bytes long.
 Data: <8e&#197;]]           > 38 65 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025D5DC55FC0, 16 bytes long.
 Data: < e&#197;]]           > 10 65 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025D5DC56100, 16 bytes long.
 Data: <&#232;d&#197;]]           > E8 64 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025D5DC558E0, 16 bytes long.
 Data: <&#192;d&#197;]]           > C0 64 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025D5DC54A80, 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 0x0000025D5DC55E80, 16 bytes long.
 Data: <&#216;&#181;&#195;]]           > D8 B5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025D5DC4FDC0, 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 0x0000025D5DC55F70, 16 bytes long.
 Data: <&#176;&#181;&#195;]]           > B0 B5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025D5DC56010, 16 bytes long.
 Data: < &#181;&#195;]]           > 88 B5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025D5DC55F20, 16 bytes long.
 Data: <`&#181;&#195;]]           > 60 B5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025D5DC55A20, 16 bytes long.
 Data: <8&#181;&#195;]]           > 38 B5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025D5DC55BB0, 16 bytes long.
 Data: < &#181;&#195;]]           > 10 B5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D5DC55520, 16 bytes long.
 Data: <&#232;&#180;&#195;]]           > E8 B4 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025D5DC4F9A0, 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 0x0000025D5DC55E30, 16 bytes long.
 Data: <&#192;&#180;&#195;]]           > C0 B4 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025D5DC3B4C0, 320 bytes long.
 Data: <0^&#197;]]   &#160;&#249;&#196;]]   > 30 5E C5 5D 5D 02 00 00 A0 F9 C4 5D 5D 02 00 00 
{276} normal block at 0x0000025D5DC557F0, 16 bytes long.
 Data: <&#160;d&#197;]]           > A0 64 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D5DC561F0, 16 bytes long.
 Data: <xd&#197;]]           > 78 64 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025D5DC4F7C0, 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 0x0000025D5DC55B60, 16 bytes long.
 Data: <Pd&#197;]]           > 50 64 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D5DC50600, 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 0x0000025D5DC56060, 16 bytes long.
 Data: < c&#197;]]           > 98 63 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025D5DC55DE0, 16 bytes long.
 Data: <pc&#197;]]           > 70 63 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D5DC55700, 16 bytes long.
 Data: <Hc&#197;]]           > 48 63 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025D5DC556B0, 16 bytes long.
 Data: < c&#197;]]           > 20 63 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025D5DC554D0, 16 bytes long.
 Data: <&#248;b&#197;]]           > F8 62 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D5DC55480, 16 bytes long.
 Data: <&#208;b&#197;]]           > D0 62 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025D5DC55430, 16 bytes long.
 Data: <&#208;K&#197;]]           > D0 4B C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025D5DC54BD0, 40 bytes long.
 Data: <0T&#197;]]    Q&#135;_]   > 30 54 C5 5D 5D 02 00 00 00 51 87 5F 5D 02 00 00 
{262} normal block at 0x0000025D5DC55ED0, 16 bytes long.
 Data: <&#176;b&#197;]]           > B0 62 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025D5DC55AC0, 16 bytes long.
 Data: < b&#197;]]           > 88 62 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025D5DC505A0, 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 0x0000025D5DC55B10, 16 bytes long.
 Data: <`b&#197;]]           > 60 62 C5 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025D5DC56260, 992 bytes long.
 Data: < [&#197;]]   &#160; &#197;]]   > 10 5B C5 5D 5D 02 00 00 A0 05 C5 5D 5D 02 00 00 
{94} normal block at 0x0000025D5DC4F940, 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 0x0000025D5DC4F4C0, 16 bytes long.
 Data: <&#192;&#229;&#195;]]           > C0 E5 C3 5D 5D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025D5DC3E5C0, 40 bytes long.
 Data: <&#192;&#244;&#196;]]   @&#249;&#196;]]   > C0 F4 C4 5D 5D 02 00 00 40 F9 C4 5D 5D 02 00 00 
{71} normal block at 0x0000025D5DC4F240, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025D5DC4E980, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025D5DC4EC00, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025D5DC4E840, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025D5DC4E8E0, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025D5DC4F6A0, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025D5DC4F650, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025D5DC4E750, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025D5DC4F470, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025D5DC4F3D0, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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