Task 38679520

Name test_982-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6536_0
Workunit 31621292
Created 26 Oct 2026, 20:51:27 UTC
Sent 26 Oct 2026, 20:51:35 UTC
Report deadline 31 Oct 2026, 20:51:35 UTC
Received 26 Oct 2026, 21:18:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 11 sec
CPU time 24 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.43 MB
Peak swap size 6.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
16:52:51 (16300): wrapper (7.9.26016): starting
16:52:51 (16300): 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
16:52:52 (16300): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:52:52 (16300): 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
17:18:09 (16300): C:/Windows/system32/cmd.exe exited; CPU time 1499.203125
17:18:09 (16300): 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: 27312673 bytes.
Dumping objects ->
{3835542} normal block at 0x00000172291D6C50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000172291D70B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x00000172291D6BE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x00000172291D6FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x00000172291D6F60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000001722AD87F30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001722ADD9970, 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) : {3835453} normal block at 0x00000172291CDC80, 8 bytes long.
 Data: <  &#178;*r   > 00 00 B2 2A 72 01 00 00 
{3834690} normal block at 0x000001722ADD96B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000172291CDFF0, 8 bytes long.
 Data: <&#160;Y&#225;*r   > A0 59 E1 2A 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000172291D1B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000172291C64D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000172291D5C70, 16 bytes long.
 Data: <hh )r           > 68 68 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000172291D5A90, 16 bytes long.
 Data: <@h )r           > 40 68 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000172291CFFF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000172291D5630, 16 bytes long.
 Data: < h )r           > 18 68 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000172291D5C20, 16 bytes long.
 Data: <&#240;g )r           > F0 67 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000172291D58B0, 16 bytes long.
 Data: <&#200;g )r           > C8 67 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000172291D5540, 16 bytes long.
 Data: <&#160;g )r           > A0 67 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000172291D69B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000172291D5360, 16 bytes long.
 Data: < &#150; )r           > 98 96 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000172291CF750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000172291D5270, 16 bytes long.
 Data: <p&#150; )r           > 70 96 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000172291D5CC0, 16 bytes long.
 Data: <H&#150; )r           > 48 96 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000172291D51D0, 16 bytes long.
 Data: < &#150; )r           > 20 96 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000172291D5A40, 16 bytes long.
 Data: <&#248;&#149; )r           > F8 95 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000172291D5180, 16 bytes long.
 Data: <&#208;&#149; )r           > D0 95 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000172291D5D10, 16 bytes long.
 Data: <&#168;&#149; )r           > A8 95 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000172291D0050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000172291D5BD0, 16 bytes long.
 Data: < &#149; )r           > 80 95 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000172291C9580, 320 bytes long.
 Data: <&#208;[ )r   P  )r   > D0 5B 1D 29 72 01 00 00 50 00 1D 29 72 01 00 00 
{275} normal block at 0x00000172291D5B80, 16 bytes long.
 Data: < g )r           > 80 67 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000172291D59A0, 16 bytes long.
 Data: <Xg )r           > 58 67 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000172291CF7B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000172291D6080, 16 bytes long.
 Data: <0g )r           > 30 67 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000172291D04D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000172291D5FE0, 16 bytes long.
 Data: <xf )r           > 78 66 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000172291D55E0, 16 bytes long.
 Data: <Pf )r           > 50 66 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000172291D5F90, 16 bytes long.
 Data: <(f )r           > 28 66 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000172291D5950, 16 bytes long.
 Data: < f )r           > 00 66 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000172291D5900, 16 bytes long.
 Data: <&#216;e )r           > D8 65 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000172291D5220, 16 bytes long.
 Data: <&#176;e )r           > B0 65 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000172291D6030, 16 bytes long.
 Data: < &#149; )r           > 10 95 1C 29 72 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000172291C9510, 40 bytes long.
 Data: <0` )r   0 &#216;*r   > 30 60 1D 29 72 01 00 00 30 7F D8 2A 72 01 00 00 
{261} normal block at 0x00000172291D5AE0, 16 bytes long.
 Data: < e )r           > 90 65 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000172291D5EF0, 16 bytes long.
 Data: <he )r           > 68 65 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000172291CF8D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000172291D5F40, 16 bytes long.
 Data: <@e )r           > 40 65 1D 29 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000172291D6540, 992 bytes long.
 Data: <@_ )r   &#208;&#248; )r   > 40 5F 1D 29 72 01 00 00 D0 F8 1C 29 72 01 00 00 
{93} normal block at 0x00000172291D0290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000172291CDE10, 16 bytes long.
 Data: <p&#216; )r           > 70 D8 1B 29 72 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000172291BD870, 40 bytes long.
 Data: < &#222; )r      )r   > 10 DE 1C 29 72 01 00 00 90 02 1D 29 72 01 00 00 
{70} normal block at 0x00000172291CE310, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000172291CE4F0, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000172291CD870, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000172291CDBE0, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000172291CE4A0, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000172291CD7D0, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000172291CDB40, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000172291CD9B0, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000172291CE180, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000172291CE630, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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