Task 38676680

Name test_215-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1937_0
Workunit 31618582
Created 26 Oct 2026, 12:01:13 UTC
Sent 26 Oct 2026, 12:01:21 UTC
Report deadline 31 Oct 2026, 12:01:21 UTC
Received 26 Oct 2026, 12:21:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 43 sec
CPU time 17 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.95 MB
Peak swap size 12.96 GB
Peak disk usage 3.65 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:04:06 (30440): wrapper (7.9.26016): starting
13:04:06 (30440): 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
13:04:07 (30440): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:04:07 (30440): 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\1\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\1\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
13:21:11 (30440): C:/Windows/system32/cmd.exe exited; CPU time 1021.546875
13:21:11 (30440): 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: 16307547 bytes.
Dumping objects ->
{3835247} normal block at 0x000001A5FD6F5410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001A5FD6F5A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001A5FD6F5560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001A5FD6F5640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001A5FD6F5950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001A5FF47A320, 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) : {3835159} normal block at 0x000001A5FD6EDD70, 8 bytes long.
 Data: <  j&#253;&#165;   > 00 00 6A FD A5 01 00 00 
{3833965} normal block at 0x000001A5FD6EE6D0, 8 bytes long.
 Data: <&#192;ZP &#165;   > C0 5A 50 FF A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A5FD6F2770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A5FD6E70D0, 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 0x000001A5FD6F6200, 16 bytes long.
 Data: < so&#253;&#165;           > 08 73 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A5FD6F66B0, 16 bytes long.
 Data: <&#224;ro&#253;&#165;           > E0 72 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A5FD6F02C0, 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 0x000001A5FD6F67A0, 16 bytes long.
 Data: <&#184;ro&#253;&#165;           > B8 72 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A5FD6F62A0, 16 bytes long.
 Data: < ro&#253;&#165;           > 90 72 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A5FD6F6610, 16 bytes long.
 Data: <hro&#253;&#165;           > 68 72 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A5FD6F6750, 16 bytes long.
 Data: <@ro&#253;&#165;           > 40 72 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A5FD6F59C0, 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 0x000001A5FD6F6700, 16 bytes long.
 Data: <  m&#253;&#165;           > 18 BD 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A5FD6F08C0, 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 0x000001A5FD6F63E0, 16 bytes long.
 Data: <&#240;&#188;m&#253;&#165;           > F0 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A5FD6F6C50, 16 bytes long.
 Data: <&#200;&#188;m&#253;&#165;           > C8 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A5FD6F67F0, 16 bytes long.
 Data: <&#160;&#188;m&#253;&#165;           > A0 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A5FD6F61B0, 16 bytes long.
 Data: <x&#188;m&#253;&#165;           > 78 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A5FD6F6F20, 16 bytes long.
 Data: <P&#188;m&#253;&#165;           > 50 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A5FD6F6570, 16 bytes long.
 Data: <(&#188;m&#253;&#165;           > 28 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A5FD6F07A0, 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 0x000001A5FD6F6980, 16 bytes long.
 Data: < &#188;m&#253;&#165;           > 00 BC 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A5FD6DBC00, 320 bytes long.
 Data: < io&#253;&#165;   &#160; o&#253;&#165;   > 80 69 6F FD A5 01 00 00 A0 07 6F FD A5 01 00 00 
{278} normal block at 0x000001A5FD6F6930, 16 bytes long.
 Data: < ro&#253;&#165;           > 20 72 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A5FD6F6160, 16 bytes long.
 Data: <&#248;qo&#253;&#165;           > F8 71 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A5FD6F0140, 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 0x000001A5FD6F6E80, 16 bytes long.
 Data: <&#208;qo&#253;&#165;           > D0 71 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A5FD6F0020, 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 0x000001A5FD6F6D90, 16 bytes long.
 Data: < qo&#253;&#165;           > 18 71 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A5FD6F6110, 16 bytes long.
 Data: <&#240;po&#253;&#165;           > F0 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A5FD6F6660, 16 bytes long.
 Data: <&#200;po&#253;&#165;           > C8 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A5FD6F6430, 16 bytes long.
 Data: <&#160;po&#253;&#165;           > A0 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A5FD6F60C0, 16 bytes long.
 Data: <xpo&#253;&#165;           > 78 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A5FD6F65C0, 16 bytes long.
 Data: <Ppo&#253;&#165;           > 50 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A5FD6F6020, 16 bytes long.
 Data: <&#160;Zo&#253;&#165;           > A0 5A 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A5FD6F5AA0, 40 bytes long.
 Data: < `o&#253;&#165;    &#163;G &#165;   > 20 60 6F FD A5 01 00 00 20 A3 47 FF A5 01 00 00 
{264} normal block at 0x000001A5FD6F6B60, 16 bytes long.
 Data: <0po&#253;&#165;           > 30 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A5FD6F6070, 16 bytes long.
 Data: < po&#253;&#165;           > 08 70 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A5FD6EFDE0, 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 0x000001A5FD6F68E0, 16 bytes long.
 Data: <&#224;oo&#253;&#165;           > E0 6F 6F FD A5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A5FD6F6FE0, 992 bytes long.
 Data: <&#224;ho&#253;&#165;   &#224;&#253;n&#253;&#165;   > E0 68 6F FD A5 01 00 00 E0 FD 6E FD A5 01 00 00 
{96} normal block at 0x000001A5FD6EFF00, 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 0x000001A5FD6EE860, 16 bytes long.
 Data: < &#250;m&#253;&#165;           > 90 FA 6D FD A5 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001A5FD6DFA90, 40 bytes long.
 Data: <`&#232;n&#253;&#165;     n&#253;&#165;   > 60 E8 6E FD A5 01 00 00 00 FF 6E FD A5 01 00 00 
{73} normal block at 0x000001A5FD6EDA50, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A5FD6EE0E0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A5FD6EE680, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A5FD6EDB40, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A5FD6EE090, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A5FD6EE950, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A5FD6EDFF0, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A5FD6EDAA0, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A5FD6EDFA0, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A5FD6EE590, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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