Task 38682259

Name test_24-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5653_0
Workunit 31623883
Created 27 Oct 2026, 7:10:09 UTC
Sent 27 Oct 2026, 7:10:14 UTC
Report deadline 1 Nov 2026, 7:10:14 UTC
Received 27 Oct 2026, 8:41:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 30 min 18 sec
CPU time 27 min 49 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 711.01 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:12:23 (65072): wrapper (7.9.26016): starting
09:12:23 (65072): 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
09:12:30 (65072): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:12:30 (65072): 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 'D:\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 'D:\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
09:41:08 (65072): C:/Windows/system32/cmd.exe exited; CPU time 1669.484375
09:41:08 (65072): 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: 38320685 bytes.
Dumping objects ->
{3835278} normal block at 0x0000017E92BF7910, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000017E92BF7050, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000017E92B25420, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x0000017E92B253B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000017E92B25340, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x0000017E94905180, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x0000017E92B1AAC0, 8 bytes long.
 Data: <  &#173;&#146;~   > 00 00 AD 92 7E 01 00 00 
{3833975} normal block at 0x0000017E92B1B6F0, 8 bytes long.
 Data: < F&#150;&#148;~   > 00 46 96 94 7E 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000017E92B22020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000017E92B16DE0, 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 0x0000017E92B263C0, 16 bytes long.
 Data: <Xq&#178;&#146;~           > 58 71 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000017E92B25E70, 16 bytes long.
 Data: <0q&#178;&#146;~           > 30 71 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017E92B1F6F0, 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 0x0000017E92B26960, 16 bytes long.
 Data: < q&#178;&#146;~           > 08 71 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017E92B26050, 16 bytes long.
 Data: <&#224;p&#178;&#146;~           > E0 70 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017E92B267D0, 16 bytes long.
 Data: <&#184;p&#178;&#146;~           > B8 70 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017E92B26370, 16 bytes long.
 Data: < p&#178;&#146;~           > 90 70 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017E92B25570, 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 0x0000017E92B26320, 16 bytes long.
 Data: <x&#249;&#176;&#146;~           > 78 F9 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017E92B1EE50, 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 0x0000017E92B262D0, 16 bytes long.
 Data: <P&#249;&#176;&#146;~           > 50 F9 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017E92B26000, 16 bytes long.
 Data: <(&#249;&#176;&#146;~           > 28 F9 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017E92B266E0, 16 bytes long.
 Data: < &#249;&#176;&#146;~           > 00 F9 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017E92B25FB0, 16 bytes long.
 Data: <&#216;&#248;&#176;&#146;~           > D8 F8 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017E92B26640, 16 bytes long.
 Data: <&#176;&#248;&#176;&#146;~           > B0 F8 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017E92B26B90, 16 bytes long.
 Data: < &#248;&#176;&#146;~           > 88 F8 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017E92B1F630, 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 0x0000017E92B26280, 16 bytes long.
 Data: <`&#248;&#176;&#146;~           > 60 F8 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017E92B0F860, 320 bytes long.
 Data: < b&#178;&#146;~   0&#246;&#177;&#146;~   > 80 62 B2 92 7E 01 00 00 30 F6 B1 92 7E 01 00 00 
{283} normal block at 0x0000017E92B26230, 16 bytes long.
 Data: <pp&#178;&#146;~           > 70 70 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017E92B26A50, 16 bytes long.
 Data: <Hp&#178;&#146;~           > 48 70 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017E92B1EF70, 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 0x0000017E92B268C0, 16 bytes long.
 Data: < p&#178;&#146;~           > 20 70 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017E92B1EF10, 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 0x0000017E92B26460, 16 bytes long.
 Data: <ho&#178;&#146;~           > 68 6F B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017E92B26870, 16 bytes long.
 Data: <@o&#178;&#146;~           > 40 6F B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017E92B26820, 16 bytes long.
 Data: < o&#178;&#146;~           > 18 6F B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017E92B26550, 16 bytes long.
 Data: <&#240;n&#178;&#146;~           > F0 6E B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017E92B26B40, 16 bytes long.
 Data: <&#200;n&#178;&#146;~           > C8 6E B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017E92B261E0, 16 bytes long.
 Data: <&#160;n&#178;&#146;~           > A0 6E B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017E92B26CD0, 16 bytes long.
 Data: <PV&#178;&#146;~           > 50 56 B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017E92B25650, 40 bytes long.
 Data: <&#208;l&#178;&#146;~    Q &#148;~   > D0 6C B2 92 7E 01 00 00 80 51 90 94 7E 01 00 00 
{269} normal block at 0x0000017E92B26D70, 16 bytes long.
 Data: < n&#178;&#146;~           > 80 6E B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017E92B26690, 16 bytes long.
 Data: <Xn&#178;&#146;~           > 58 6E B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017E92B1EC70, 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 0x0000017E92B26AA0, 16 bytes long.
 Data: <0n&#178;&#146;~           > 30 6E B2 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017E92B26E30, 992 bytes long.
 Data: <&#160;j&#178;&#146;~   p&#236;&#177;&#146;~   > A0 6A B2 92 7E 01 00 00 70 EC B1 92 7E 01 00 00 
{101} normal block at 0x0000017E92B1EEB0, 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 0x0000017E92B1B6A0, 16 bytes long.
 Data: <0&#200;&#176;&#146;~           > 30 C8 B0 92 7E 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000017E92B0C830, 40 bytes long.
 Data: <&#160;&#182;&#177;&#146;~   &#176;&#238;&#177;&#146;~   > A0 B6 B1 92 7E 01 00 00 B0 EE B1 92 7E 01 00 00 
{78} normal block at 0x0000017E92B1B010, 16 bytes long.
 Data: < &#234;&#233;Z&#247;           > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000017E92B1ADE0, 16 bytes long.
 Data: <@&#233;&#233;Z&#247;           > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000017E92B1B3D0, 16 bytes long.
 Data: <&#248;W&#230;Z&#247;           > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000017E92B1AFC0, 16 bytes long.
 Data: <&#216;W&#230;Z&#247;           > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017E92B1B740, 16 bytes long.
 Data: <P &#230;Z&#247;           > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017E92B1A8E0, 16 bytes long.
 Data: <0 &#230;Z&#247;           > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017E92B1B2E0, 16 bytes long.
 Data: <&#224; &#230;Z&#247;           > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017E92B1B150, 16 bytes long.
 Data: <  &#230;Z&#247;           > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017E92B1AF70, 16 bytes long.
 Data: <p &#230;Z&#247;           > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017E92B1B420, 16 bytes long.
 Data: < &#192;&#228;Z&#247;           > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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