Task 38680827

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8529_0
Workunit 31622527
Created 27 Oct 2026, 1:44:28 UTC
Sent 27 Oct 2026, 1:44:32 UTC
Report deadline 1 Nov 2026, 1:44:32 UTC
Received 27 Oct 2026, 2:10:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652945
Run time 25 min 16 sec
CPU time 22 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.47 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:45:25 (30728): wrapper (7.9.26016): starting
02:45:25 (30728): 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
02:45:26 (30728): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:45:26 (30728): 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
03:09:54 (30728): C:/Windows/system32/cmd.exe exited; CPU time 1328.406250
03:09:54 (30728): 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: 28118559 bytes.
Dumping objects ->
{3835492} normal block at 0x000002526FD85EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002526DEA9180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000002526DEA8F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835459} normal block at 0x000002526DEA92D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x000002526DEA9110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835417} normal block at 0x000002526FDCC390, 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) : {3835404} normal block at 0x000002526DEA3DC0, 8 bytes long.
 Data: <  &#212;mR   > 00 00 D4 6D 52 02 00 00 
{3833967} normal block at 0x000002526DEA33C0, 8 bytes long.
 Data: < &#184;&#234;mR   > 80 B8 EA 6D 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002526DE9F040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002526DE98AD0, 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 0x000002526DEABFB0, 16 bytes long.
 Data: <&#184;&#224;&#238;mR           > B8 E0 EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002526DEABEC0, 16 bytes long.
 Data: < &#224;&#238;mR           > 90 E0 EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002526DEED130, 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 0x000002526DEACC80, 16 bytes long.
 Data: <h&#224;&#238;mR           > 68 E0 EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002526DEABDD0, 16 bytes long.
 Data: <@&#224;&#238;mR           > 40 E0 EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002526DEAC0A0, 16 bytes long.
 Data: < &#224;&#238;mR           > 18 E0 EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002526DEAC960, 16 bytes long.
 Data: <&#240;&#223;&#238;mR           > F0 DF EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002526DEA8FC0, 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 0x000002526DEACC30, 16 bytes long.
 Data: <&#200;R&#234;mR           > C8 52 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002526DEEDC10, 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 0x000002526DEAC050, 16 bytes long.
 Data: <&#160;R&#234;mR           > A0 52 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002526DEAC460, 16 bytes long.
 Data: <xR&#234;mR           > 78 52 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002526DEAC410, 16 bytes long.
 Data: <PR&#234;mR           > 50 52 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002526DEAC5F0, 16 bytes long.
 Data: <(R&#234;mR           > 28 52 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002526DEACBE0, 16 bytes long.
 Data: < R&#234;mR           > 00 52 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002526DEAC5A0, 16 bytes long.
 Data: <&#216;Q&#234;mR           > D8 51 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002526DEECEF0, 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 0x000002526DEABE20, 16 bytes long.
 Data: <&#176;Q&#234;mR           > B0 51 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002526DEA51B0, 320 bytes long.
 Data: < &#190;&#234;mR   &#240;&#206;&#238;mR   > 20 BE EA 6D 52 02 00 00 F0 CE EE 6D 52 02 00 00 
{279} normal block at 0x000002526DEAC280, 16 bytes long.
 Data: <&#208;&#223;&#238;mR           > D0 DF EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002526DEACAF0, 16 bytes long.
 Data: <&#168;&#223;&#238;mR           > A8 DF EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002526DEED0D0, 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 0x000002526DEAC230, 16 bytes long.
 Data: < &#223;&#238;mR           > 80 DF EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002526DEEDC70, 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 0x000002526DEAC1E0, 16 bytes long.
 Data: <&#200;&#222;&#238;mR           > C8 DE EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002526DEAC6E0, 16 bytes long.
 Data: <&#160;&#222;&#238;mR           > A0 DE EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002526DEAC2D0, 16 bytes long.
 Data: <x&#222;&#238;mR           > 78 DE EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002526DEAC690, 16 bytes long.
 Data: <P&#222;&#238;mR           > 50 DE EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002526DEABE70, 16 bytes long.
 Data: <(&#222;&#238;mR           > 28 DE EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002526DEACA50, 16 bytes long.
 Data: < &#222;&#238;mR           > 00 DE EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002526DEAC910, 16 bytes long.
 Data: <&#224;&#149;&#234;mR           > E0 95 EA 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002526DEA95E0, 40 bytes long.
 Data: < &#201;&#234;mR    &#195;&#220;oR   > 10 C9 EA 6D 52 02 00 00 90 C3 DC 6F 52 02 00 00 
{265} normal block at 0x000002526DEACAA0, 16 bytes long.
 Data: <&#224;&#221;&#238;mR           > E0 DD EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002526DEABD80, 16 bytes long.
 Data: <&#184;&#221;&#238;mR           > B8 DD EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002526DEEDAF0, 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 0x000002526DEAC190, 16 bytes long.
 Data: < &#221;&#238;mR           > 90 DD EE 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002526DEEDD90, 992 bytes long.
 Data: < &#193;&#234;mR   &#240;&#218;&#238;mR   > 90 C1 EA 6D 52 02 00 00 F0 DA EE 6D 52 02 00 00 
{97} normal block at 0x000002526DEA21C0, 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 0x000002526DEA3690, 16 bytes long.
 Data: <&#224;&#194;&#232;mR           > E0 C2 E8 6D 52 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002526DE8C2E0, 40 bytes long.
 Data: < 6&#234;mR   &#192;!&#234;mR   > 90 36 EA 6D 52 02 00 00 C0 21 EA 6D 52 02 00 00 
{74} normal block at 0x000002526DEA30F0, 16 bytes long.
 Data: < &#234;i(&#247;           > 80 EA 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002526DEA3C80, 16 bytes long.
 Data: <@&#233;i(&#247;           > 40 E9 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002526DEA30A0, 16 bytes long.
 Data: <&#248;Wf(&#247;           > F8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002526DEA35F0, 16 bytes long.
 Data: <&#216;Wf(&#247;           > D8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002526DEA3960, 16 bytes long.
 Data: <P f(&#247;           > 50 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002526DEA3050, 16 bytes long.
 Data: <0 f(&#247;           > 30 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002526DEA3730, 16 bytes long.
 Data: <&#224; f(&#247;           > E0 02 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002526DEA34B0, 16 bytes long.
 Data: <  f(&#247;           > 10 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002526DEA3780, 16 bytes long.
 Data: <p f(&#247;           > 70 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002526DEA3D70, 16 bytes long.
 Data: < &#192;d(&#247;           > 18 C0 64 28 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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