Task 38682237

Name test_70-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0427_1
Workunit 31620118
Created 27 Oct 2026, 7:05:04 UTC
Sent 27 Oct 2026, 7:05:11 UTC
Report deadline 1 Nov 2026, 7:05:11 UTC
Received 27 Oct 2026, 7:35:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607579
Run time 29 min 56 sec
CPU time 28 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.18 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:06:15 (20400): wrapper (7.9.26016): starting
08:06:15 (20400): 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
08:06:16 (20400): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:16 (20400): 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
08:35:18 (20400): C:/Windows/system32/cmd.exe exited; CPU time 1690.859375
08:35:18 (20400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 40919269 bytes.
Dumping objects ->
{3835569} normal block at 0x00000134F4724150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000134F4723B30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x00000134F27D4CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x00000134F27D4C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x00000134F27D4BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x00000134F46C7430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835481} normal block at 0x00000134F27CD4E0, 8 bytes long.
 Data: <  &#223;&#242;4   > 00 00 DF F2 34 01 00 00 
{3833967} normal block at 0x00000134F27CDF80, 8 bytes long.
 Data: <&#176;&#229;&#138;&#242;4   > B0 E5 8A F2 34 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000134F27D17C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000134F27C6C00, 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 0x00000134F27D57D0, 16 bytes long.
 Data: <hj}&#242;4           > 68 6A 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000134F27D5780, 16 bytes long.
 Data: <@j}&#242;4           > 40 6A 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000134F27CFCF0, 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 0x00000134F27D6450, 16 bytes long.
 Data: < j}&#242;4           > 18 6A 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000134F27D5DC0, 16 bytes long.
 Data: <&#240;i}&#242;4           > F0 69 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000134F27D5E60, 16 bytes long.
 Data: <&#200;i}&#242;4           > C8 69 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000134F27D6540, 16 bytes long.
 Data: <&#160;i}&#242;4           > A0 69 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000134F27D49B0, 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 0x00000134F27D5D70, 16 bytes long.
 Data: <8&#147;|&#242;4           > 38 93 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000134F27CFA50, 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 0x00000134F27D6630, 16 bytes long.
 Data: < &#147;|&#242;4           > 10 93 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000134F27D5AA0, 16 bytes long.
 Data: <&#232;&#146;|&#242;4           > E8 92 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000134F27D6040, 16 bytes long.
 Data: <&#192;&#146;|&#242;4           > C0 92 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000134F27D6400, 16 bytes long.
 Data: < &#146;|&#242;4           > 98 92 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000134F27D62C0, 16 bytes long.
 Data: <p&#146;|&#242;4           > 70 92 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000134F27D66D0, 16 bytes long.
 Data: <H&#146;|&#242;4           > 48 92 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000134F27CFC90, 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 0x00000134F27D65E0, 16 bytes long.
 Data: < &#146;|&#242;4           > 20 92 7C F2 34 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000134F27C9220, 320 bytes long.
 Data: <&#224;e}&#242;4    &#252;|&#242;4   > E0 65 7D F2 34 01 00 00 90 FC 7C F2 34 01 00 00 
{279} normal block at 0x00000134F27D6680, 16 bytes long.
 Data: < i}&#242;4           > 80 69 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000134F27D6090, 16 bytes long.
 Data: <Xi}&#242;4           > 58 69 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000134F27CFBD0, 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 0x00000134F27D5CD0, 16 bytes long.
 Data: <0i}&#242;4           > 30 69 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000134F27CFB70, 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 0x00000134F27D6360, 16 bytes long.
 Data: <xh}&#242;4           > 78 68 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000134F27D5C30, 16 bytes long.
 Data: <Ph}&#242;4           > 50 68 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000134F27D5960, 16 bytes long.
 Data: <(h}&#242;4           > 28 68 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000134F27D5F50, 16 bytes long.
 Data: < h}&#242;4           > 00 68 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000134F27D64F0, 16 bytes long.
 Data: <&#216;g}&#242;4           > D8 67 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000134F27D5BE0, 16 bytes long.
 Data: <&#176;g}&#242;4           > B0 67 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000134F27D6310, 16 bytes long.
 Data: <@P}&#242;4           > 40 50 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000134F27D5040, 40 bytes long.
 Data: < c}&#242;4   0tl&#244;4   > 10 63 7D F2 34 01 00 00 30 74 6C F4 34 01 00 00 
{265} normal block at 0x00000134F27D5AF0, 16 bytes long.
 Data: < g}&#242;4           > 90 67 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000134F27D5D20, 16 bytes long.
 Data: <hg}&#242;4           > 68 67 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000134F27CF8D0, 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 0x00000134F27D5C80, 16 bytes long.
 Data: <@g}&#242;4           > 40 67 7D F2 34 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000134F27D6740, 992 bytes long.
 Data: < \}&#242;4   &#208;&#248;|&#242;4   > 80 5C 7D F2 34 01 00 00 D0 F8 7C F2 34 01 00 00 
{97} normal block at 0x00000134F27CFDB0, 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 0x00000134F27CE160, 16 bytes long.
 Data: <`&#214;{&#242;4           > 60 D6 7B F2 34 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000134F27BD660, 40 bytes long.
 Data: <`&#225;|&#242;4   &#176;&#253;|&#242;4   > 60 E1 7C F2 34 01 00 00 B0 FD 7C F2 34 01 00 00 
{74} normal block at 0x00000134F27CDD00, 16 bytes long.
 Data: < &#234;&#191; &#247;           > 80 EA BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000134F27CD8A0, 16 bytes long.
 Data: <@&#233;&#191; &#247;           > 40 E9 BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000134F27CE3E0, 16 bytes long.
 Data: <&#248;W&#188; &#247;           > F8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000134F27CDF30, 16 bytes long.
 Data: <&#216;W&#188; &#247;           > D8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000134F27CD620, 16 bytes long.
 Data: <P &#188; &#247;           > 50 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000134F27CE340, 16 bytes long.
 Data: <0 &#188; &#247;           > 30 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000134F27CDC60, 16 bytes long.
 Data: <&#224; &#188; &#247;           > E0 02 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000134F27CDEE0, 16 bytes long.
 Data: <  &#188; &#247;           > 10 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000134F27CD800, 16 bytes long.
 Data: <p &#188; &#247;           > 70 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000134F27CD8F0, 16 bytes long.
 Data: < &#192;&#186; &#247;           > 18 C0 BA 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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