Task 38666839

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2094_1
Workunit 31609542
Created 25 Oct 2026, 5:00:56 UTC
Sent 25 Oct 2026, 5:16:35 UTC
Report deadline 30 Oct 2026, 5:16:35 UTC
Received 25 Oct 2026, 10:14:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607579
Run time 28 min 39 sec
CPU time 26 min 36 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 730.70 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>
07:08:51 (36284): wrapper (7.9.26016): starting
07:08:51 (36284): 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
07:08:52 (36284): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:08:52 (36284): 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
07:36:40 (36284): C:/Windows/system32/cmd.exe exited; CPU time 1596.953125
07:36:40 (36284): 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: 38453843 bytes.
Dumping objects ->
{3835569} normal block at 0x000002993F3A4B10, 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 0x000002993F3A5130, 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 0x000002993D6C4A90, 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 0x000002993D6C4F60, 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 0x000002993D6C4DA0, 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 0x000002993F34B830, 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 0x000002993D6BF120, 8 bytes long.
 Data: <  &#170;=    > 00 00 AA 3D 99 02 00 00 
{3833967} normal block at 0x000002993D6BFA30, 8 bytes long.
 Data: <&#224;&#229;y=    > E0 E5 79 3D 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002993D6C17D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002993D6B6D70, 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 0x000002993D6C6230, 16 bytes long.
 Data: <&#184;kl=            > B8 6B 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002993D6C6370, 16 bytes long.
 Data: < kl=            > 90 6B 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002993D6BE470, 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 0x000002993D6C5E70, 16 bytes long.
 Data: <hkl=            > 68 6B 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002993D6C5B50, 16 bytes long.
 Data: <@kl=            > 40 6B 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002993D6C6320, 16 bytes long.
 Data: < kl=            > 18 6B 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002993D6C6460, 16 bytes long.
 Data: <&#240;jl=            > F0 6A 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002993D6C4B70, 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 0x000002993D6C65F0, 16 bytes long.
 Data: <X&#246;j=            > 58 F6 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002993D6BE290, 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 0x000002993D6C61E0, 16 bytes long.
 Data: <0&#246;j=            > 30 F6 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002993D6C5920, 16 bytes long.
 Data: < &#246;j=            > 08 F6 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002993D6C60F0, 16 bytes long.
 Data: <&#224;&#245;j=            > E0 F5 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002993D6C5F60, 16 bytes long.
 Data: <&#184;&#245;j=            > B8 F5 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002993D6C6280, 16 bytes long.
 Data: < &#245;j=            > 90 F5 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002993D6C6550, 16 bytes long.
 Data: <h&#245;j=            > 68 F5 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002993D6BD7B0, 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 0x000002993D6C63C0, 16 bytes long.
 Data: <@&#245;j=            > 40 F5 6A 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002993D6AF540, 320 bytes long.
 Data: <&#192;cl=    &#176;&#215;k=    > C0 63 6C 3D 99 02 00 00 B0 D7 6B 3D 99 02 00 00 
{279} normal block at 0x000002993D6C5CE0, 16 bytes long.
 Data: <&#208;jl=            > D0 6A 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002993D6C5BF0, 16 bytes long.
 Data: <&#168;jl=            > A8 6A 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002993D6BD990, 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 0x000002993D6C5B00, 16 bytes long.
 Data: < jl=            > 80 6A 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002993D6BDAB0, 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 0x000002993D6C60A0, 16 bytes long.
 Data: <&#200;il=            > C8 69 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002993D6C5970, 16 bytes long.
 Data: <&#160;il=            > A0 69 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002993D6C6190, 16 bytes long.
 Data: <xil=            > 78 69 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002993D6C64B0, 16 bytes long.
 Data: <Pil=            > 50 69 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002993D6C5DD0, 16 bytes long.
 Data: <(il=            > 28 69 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002993D6C6050, 16 bytes long.
 Data: < il=            > 00 69 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002993D6C58D0, 16 bytes long.
 Data: < Nl=            > 10 4E 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002993D6C4E10, 40 bytes long.
 Data: <&#208;Xl=    0&#184;4?    > D0 58 6C 3D 99 02 00 00 30 B8 34 3F 99 02 00 00 
{265} normal block at 0x000002993D6C62D0, 16 bytes long.
 Data: <&#224;hl=            > E0 68 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002993D6C6820, 16 bytes long.
 Data: <&#184;hl=            > B8 68 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002993D6BD930, 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 0x000002993D6C5FB0, 16 bytes long.
 Data: < hl=            > 90 68 6C 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002993D6C6890, 992 bytes long.
 Data: <&#176;_l=    0&#217;k=    > B0 5F 6C 3D 99 02 00 00 30 D9 6B 3D 99 02 00 00 
{97} normal block at 0x000002993D6BE230, 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 0x000002993D6BF9E0, 16 bytes long.
 Data: < &#238;k=            > 90 EE 6B 3D 99 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002993D6BEE90, 40 bytes long.
 Data: <&#224;&#249;k=    0&#226;k=    > E0 F9 6B 3D 99 02 00 00 30 E2 6B 3D 99 02 00 00 
{74} normal block at 0x000002993D6BFA80, 16 bytes long.
 Data: < &#234;C&#214;&#246;           > 80 EA 43 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002993D6BF4E0, 16 bytes long.
 Data: <@&#233;C&#214;&#246;           > 40 E9 43 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002993D6BF2B0, 16 bytes long.
 Data: <&#248;W@&#214;&#246;           > F8 57 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002993D6BF440, 16 bytes long.
 Data: <&#216;W@&#214;&#246;           > D8 57 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002993D6BF1C0, 16 bytes long.
 Data: <P @&#214;&#246;           > 50 04 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002993D6BF490, 16 bytes long.
 Data: <0 @&#214;&#246;           > 30 04 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002993D6BF760, 16 bytes long.
 Data: <&#224; @&#214;&#246;           > E0 02 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002993D6BF030, 16 bytes long.
 Data: <  @&#214;&#246;           > 10 04 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002993D6BF850, 16 bytes long.
 Data: <p @&#214;&#246;           > 70 04 40 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002993D6BFB70, 16 bytes long.
 Data: < &#192;>&#214;&#246;           > 18 C0 3E D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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