Task 38670887

Name test_819-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9153_0
Workunit 31613112
Created 25 Oct 2026, 18:51:53 UTC
Sent 25 Oct 2026, 18:51:58 UTC
Report deadline 30 Oct 2026, 18:51:58 UTC
Received 25 Oct 2026, 19:32:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605313
Run time 27 min 2 sec
CPU time 25 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.50 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:11:27 (40320): wrapper (7.9.26016): starting
14:11:27 (40320): 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
14:11:28 (40320): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:11:28 (40320): 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
14:37:28 (40320): C:/Windows/system32/cmd.exe exited; CPU time 1506.562500
14:37:28 (40320): 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: 33273579 bytes.
Dumping objects ->
{3835221} normal block at 0x000002330C229ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000002330C22A5D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000002330C22A560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x000002330C229D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000002330C229D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x000002330DF0AC80, 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) : {3835133} normal block at 0x000002330C1FBC90, 8 bytes long.
 Data: <  l 3   > 00 00 6C 0C 33 02 00 00 
{3833975} normal block at 0x000002330C1FB380, 8 bytes long.
 Data: <`&#188;" 3   > 60 BC 22 0C 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002330C203010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002330C1F7170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000002330C2071C0, 16 bytes long.
 Data: < y  3           > 18 79 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002330C206BD0, 16 bytes long.
 Data: <&#240;x  3           > F0 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002330C1FF820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000002330C207530, 16 bytes long.
 Data: <&#200;x  3           > C8 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002330C206F40, 16 bytes long.
 Data: <&#160;x  3           > A0 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002330C207440, 16 bytes long.
 Data: <xx  3           > 78 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002330C206AE0, 16 bytes long.
 Data: <Px  3           > 50 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002330C2002E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000002330C2074E0, 16 bytes long.
 Data: <H&#253;  3           > 48 FD 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002330C1FF400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000002330C206950, 16 bytes long.
 Data: < &#253;  3           > 20 FD 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002330C206EF0, 16 bytes long.
 Data: <&#248;&#252;  3           > F8 FC 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002330C206EA0, 16 bytes long.
 Data: <&#208;&#252;  3           > D0 FC 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002330C207170, 16 bytes long.
 Data: <&#168;&#252;  3           > A8 FC 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002330C206F90, 16 bytes long.
 Data: < &#252;  3           > 80 FC 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002330C206A40, 16 bytes long.
 Data: <X&#252;  3           > 58 FC 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002330C1FFAC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000002330C206E00, 16 bytes long.
 Data: <0&#252;  3           > 30 FC 1E 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002330C1EFC30, 320 bytes long.
 Data: < n  3   &#192;&#250;  3   > 00 6E 20 0C 33 02 00 00 C0 FA 1F 0C 33 02 00 00 
{283} normal block at 0x000002330C206E50, 16 bytes long.
 Data: <0x  3           > 30 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002330C206770, 16 bytes long.
 Data: < x  3           > 08 78 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002330C1FFA60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000002330C2069F0, 16 bytes long.
 Data: <&#224;w  3           > E0 77 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002330C1FF040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000002330C207260, 16 bytes long.
 Data: <(w  3           > 28 77 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002330C207120, 16 bytes long.
 Data: < w  3           > 00 77 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002330C2066D0, 16 bytes long.
 Data: <&#216;v  3           > D8 76 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002330C206B80, 16 bytes long.
 Data: <&#176;v  3           > B0 76 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002330C206900, 16 bytes long.
 Data: < v  3           > 88 76 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002330C206FE0, 16 bytes long.
 Data: <`v  3           > 60 76 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002330C206DB0, 16 bytes long.
 Data: <P   3           > 50 03 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002330C200350, 40 bytes long.
 Data: <&#176;m  3    &#172;&#240; 3   > B0 6D 20 0C 33 02 00 00 80 AC F0 0D 33 02 00 00 
{269} normal block at 0x000002330C206D60, 16 bytes long.
 Data: <@v  3           > 40 76 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002330C206B30, 16 bytes long.
 Data: < v  3           > 18 76 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002330C1FFA00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000002330C206D10, 16 bytes long.
 Data: <&#240;u  3           > F0 75 20 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002330C2075F0, 992 bytes long.
 Data: < m  3    &#250;  3   > 10 6D 20 0C 33 02 00 00 00 FA 1F 0C 33 02 00 00 
{101} normal block at 0x000002330C1FEE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000002330C1FAED0, 16 bytes long.
 Data: <`&#255;  3           > 60 FF 1F 0C 33 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000002330C1FFF60, 40 bytes long.
 Data: <&#208;&#174;  3   `&#238;  3   > D0 AE 1F 0C 33 02 00 00 60 EE 1F 0C 33 02 00 00 
{78} normal block at 0x000002330C1FBD30, 16 bytes long.
 Data: < &#234;&#178;&#243;&#247;           > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002330C1FB420, 16 bytes long.
 Data: <@&#233;&#178;&#243;&#247;           > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002330C1FB150, 16 bytes long.
 Data: <&#248;W&#175;&#243;&#247;           > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002330C1FB1F0, 16 bytes long.
 Data: <&#216;W&#175;&#243;&#247;           > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002330C1FB6F0, 16 bytes long.
 Data: <P &#175;&#243;&#247;           > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002330C1FB650, 16 bytes long.
 Data: <0 &#175;&#243;&#247;           > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002330C1FB8D0, 16 bytes long.
 Data: <&#224; &#175;&#243;&#247;           > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002330C1FB790, 16 bytes long.
 Data: <  &#175;&#243;&#247;           > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002330C1FB240, 16 bytes long.
 Data: <p &#175;&#243;&#247;           > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002330C1FBBA0, 16 bytes long.
 Data: < &#192;&#173;&#243;&#247;           > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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