Task 38660911

Name test_372-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5678_0
Workunit 31604371
Created 24 Oct 2026, 14:55:32 UTC
Sent 24 Oct 2026, 15:01:37 UTC
Report deadline 29 Oct 2026, 15:01:37 UTC
Received 24 Oct 2026, 16:20:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 15 min 52 sec
CPU time 1 hours 14 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.61 MB
Peak swap size 6.71 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:02:52 (30532): wrapper (7.9.26016): starting
08:02:52 (30532): 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
08:02:53 (30532): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:02:53 (30532): 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\19\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\19\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
09:17:57 (30532): C:/Windows/system32/cmd.exe exited; CPU time 4483.703125
09:17:57 (30532): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 79634967 bytes.
Dumping objects ->
{3835633} normal block at 0x0000025D7F0E8CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x0000025D7F0E8A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x0000025D7F0E8260, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x0000025D7D2C6E40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x0000025D7D2C6C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x0000025D7F09AA50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000025D7D333060, 195 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) : {3835544} normal block at 0x0000025D7D2BF590, 8 bytes long.
 Data: <  &#220;~]   > 00 00 DC 7E 5D 02 00 00 
{3834742} normal block at 0x0000025D7D333C60, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000025D7D2BF810, 8 bytes long.
 Data: <&#240;X  ]   > F0 58 0F 7F 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025D7D2C3130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025D7D2B8700, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000025D7D2C7640, 16 bytes long.
 Data: < &#133;,}]           > 88 85 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025D7D2C75F0, 16 bytes long.
 Data: <`&#133;,}]           > 60 85 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025D7D2C1680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000025D7D2C76E0, 16 bytes long.
 Data: <8&#133;,}]           > 38 85 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025D7D2C7E60, 16 bytes long.
 Data: < &#133;,}]           > 10 85 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025D7D2C75A0, 16 bytes long.
 Data: <&#232;&#132;,}]           > E8 84 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025D7D2C7C80, 16 bytes long.
 Data: <&#192;&#132;,}]           > C0 84 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025D7D2C6CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000025D7D2C7EB0, 16 bytes long.
 Data: <h&#190;*}]           > 68 BE 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025D7D2C0D20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000025D7D2C7B40, 16 bytes long.
 Data: <@&#190;*}]           > 40 BE 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025D7D2C7780, 16 bytes long.
 Data: < &#190;*}]           > 18 BE 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025D7D2C7C30, 16 bytes long.
 Data: <&#240;&#189;*}]           > F0 BD 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025D7D2C78C0, 16 bytes long.
 Data: <&#200;&#189;*}]           > C8 BD 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025D7D2C7690, 16 bytes long.
 Data: <&#160;&#189;*}]           > A0 BD 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025D7D2C7550, 16 bytes long.
 Data: <x&#189;*}]           > 78 BD 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025D7D2C1A40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000025D7D2C7500, 16 bytes long.
 Data: <P&#189;*}]           > 50 BD 2A 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D7D2ABD50, 320 bytes long.
 Data: < u,}]   @ ,}]   > 00 75 2C 7D 5D 02 00 00 40 1A 2C 7D 5D 02 00 00 
{279} normal block at 0x0000025D7D2C7DC0, 16 bytes long.
 Data: <&#160;&#132;,}]           > A0 84 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025D7D2C7B90, 16 bytes long.
 Data: <x&#132;,}]           > 78 84 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025D7D2C1800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000025D7D2C7AA0, 16 bytes long.
 Data: <P&#132;,}]           > 50 84 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D7D2C1B00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000025D7D2C7870, 16 bytes long.
 Data: < &#131;,}]           > 98 83 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025D7D2C72D0, 16 bytes long.
 Data: <p&#131;,}]           > 70 83 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D7D2C7E10, 16 bytes long.
 Data: <H&#131;,}]           > 48 83 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025D7D2C7460, 16 bytes long.
 Data: < &#131;,}]           > 20 83 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025D7D2C7370, 16 bytes long.
 Data: <&#248;&#130;,}]           > F8 82 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D7D2C7F00, 16 bytes long.
 Data: <&#208;&#130;,}]           > D0 82 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025D7D2C7190, 16 bytes long.
 Data: < i,}]           > 00 69 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D7D2C6900, 40 bytes long.
 Data: < q,}]   P&#170;	 ]   > 90 71 2C 7D 5D 02 00 00 50 AA 09 7F 5D 02 00 00 
{265} normal block at 0x0000025D7D2C7D70, 16 bytes long.
 Data: <&#176;&#130;,}]           > B0 82 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025D7D2C7320, 16 bytes long.
 Data: < &#130;,}]           > 88 82 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025D7D2C1560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000025D7D2C7280, 16 bytes long.
 Data: <`&#130;,}]           > 60 82 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025D7D2C8260, 992 bytes long.
 Data: < r,}]   ` ,}]   > 80 72 2C 7D 5D 02 00 00 60 15 2C 7D 5D 02 00 00 
{97} normal block at 0x0000025D7D2C0EA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000025D7D2BF040, 16 bytes long.
 Data: <&#176;g,}]           > B0 67 2C 7D 5D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025D7D2C67B0, 40 bytes long.
 Data: <@&#240;+}]   &#160; ,}]   > 40 F0 2B 7D 5D 02 00 00 A0 0E 2C 7D 5D 02 00 00 
{74} normal block at 0x0000025D7D2BF770, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025D7D2BEFF0, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025D7D2BEEB0, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025D7D2BF270, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025D7D2BF450, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025D7D2BEDC0, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025D7D2BF8B0, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025D7D2BEFA0, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025D7D2BECD0, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025D7D2BF3B0, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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