Task 38666191

Name test_918-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND4530_0
Workunit 31609202
Created 25 Oct 2026, 2:14:04 UTC
Sent 25 Oct 2026, 2:29:27 UTC
Report deadline 30 Oct 2026, 2:29:27 UTC
Received 25 Oct 2026, 4:38:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628942
Run time 1 hours 2 min 50 sec
CPU time 40 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,879.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.09 MB
Peak swap size 2.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:35:39 (8900): wrapper (7.9.26016): starting
00:35:39 (8900): 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
00:35:56 (8900): Library/usr/bin/tar.exe exited; CPU time 0.046875
00:35:56 (8900): 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
01:38:11 (8900): C:/Windows/system32/cmd.exe exited; CPU time 2411.718750
01:38:11 (8900): 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: 44108357 bytes.
Dumping objects ->
{3835273} normal block at 0x0000021975986960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000219759868F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000021975985E70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835240} normal block at 0x0000021975986880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000021973D41510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835198} normal block at 0x00000219758EBE00, 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) : {3835185} normal block at 0x0000021973D3B700, 8 bytes long.
 Data: <  {u    > 00 00 7B 75 19 02 00 00 
{3833957} normal block at 0x0000021973D3B480, 8 bytes long.
 Data: <@P u    > 40 50 98 75 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021973D2F230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021973D30320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000021973D43B80, 16 bytes long.
 Data: <hC&#212;s            > 68 43 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021973D43310, 16 bytes long.
 Data: <@C&#212;s            > 40 43 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021973D3D2E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000021973D43130, 16 bytes long.
 Data: < C&#212;s            > 18 43 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021973D43BD0, 16 bytes long.
 Data: <&#240;B&#212;s            > F0 42 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021973D42DC0, 16 bytes long.
 Data: <&#200;B&#212;s            > C8 42 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021973D43360, 16 bytes long.
 Data: <&#160;B&#212;s            > A0 42 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021973D415F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000021973D43680, 16 bytes long.
 Data: <&#248;&#223;&#210;s            > F8 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021973D3CFE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000021973D43810, 16 bytes long.
 Data: <&#208;&#223;&#210;s            > D0 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021973D43900, 16 bytes long.
 Data: <&#168;&#223;&#210;s            > A8 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021973D42F50, 16 bytes long.
 Data: < &#223;&#210;s            > 80 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021973D42EB0, 16 bytes long.
 Data: <X&#223;&#210;s            > 58 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021973D42D20, 16 bytes long.
 Data: <0&#223;&#210;s            > 30 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021973D432C0, 16 bytes long.
 Data: < &#223;&#210;s            > 08 DF D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021973D3DA00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000021973D43A90, 16 bytes long.
 Data: <&#224;&#222;&#210;s            > E0 DE D2 73 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021973D2DEE0, 320 bytes long.
 Data: < :&#212;s     &#218;&#211;s    > 90 3A D4 73 19 02 00 00 00 DA D3 73 19 02 00 00 
{274} normal block at 0x0000021973D433B0, 16 bytes long.
 Data: < B&#212;s            > 80 42 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021973D43400, 16 bytes long.
 Data: <XB&#212;s            > 58 42 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021973D3D7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000021973D43220, 16 bytes long.
 Data: <0B&#212;s            > 30 42 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021973D3CE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000021973D437C0, 16 bytes long.
 Data: <xA&#212;s            > 78 41 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021973D43270, 16 bytes long.
 Data: <PA&#212;s            > 50 41 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021973D43040, 16 bytes long.
 Data: <(A&#212;s            > 28 41 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021973D436D0, 16 bytes long.
 Data: < A&#212;s            > 00 41 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021973D431D0, 16 bytes long.
 Data: <&#216;@&#212;s            > D8 40 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021973D439F0, 16 bytes long.
 Data: <&#176;@&#212;s            > B0 40 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021973D438B0, 16 bytes long.
 Data: <@ &#212;s            > 40 17 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021973D41740, 40 bytes long.
 Data: <&#176;8&#212;s     &#190;&#142;u    > B0 38 D4 73 19 02 00 00 00 BE 8E 75 19 02 00 00 
{260} normal block at 0x0000021973D43630, 16 bytes long.
 Data: < @&#212;s            > 90 40 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021973D42F00, 16 bytes long.
 Data: <h@&#212;s            > 68 40 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021973D3D0A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000021973D43950, 16 bytes long.
 Data: <@@&#212;s            > 40 40 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021973D44040, 992 bytes long.
 Data: <P9&#212;s    &#160;&#208;&#211;s    > 50 39 D4 73 19 02 00 00 A0 D0 D3 73 19 02 00 00 
{92} normal block at 0x0000021973D3DD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000021973D3ADF0, 16 bytes long.
 Data: <  &#212;s            > 20 18 D4 73 19 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021973D41820, 40 bytes long.
 Data: <&#240;&#173;&#211;s     &#221;&#211;s    > F0 AD D3 73 19 02 00 00 00 DD D3 73 19 02 00 00 
{69} normal block at 0x0000021973D3B7A0, 16 bytes long.
 Data: < &#234;&#179;&#249;&#246;           > 80 EA B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021973D3B840, 16 bytes long.
 Data: <@&#233;&#179;&#249;&#246;           > 40 E9 B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021973D3B2A0, 16 bytes long.
 Data: <&#248;W&#176;&#249;&#246;           > F8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021973D3B340, 16 bytes long.
 Data: <&#216;W&#176;&#249;&#246;           > D8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021973D3B890, 16 bytes long.
 Data: <P &#176;&#249;&#246;           > 50 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021973D3BAC0, 16 bytes long.
 Data: <0 &#176;&#249;&#246;           > 30 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021973D3B570, 16 bytes long.
 Data: <&#224; &#176;&#249;&#246;           > E0 02 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021973D3ABC0, 16 bytes long.
 Data: <  &#176;&#249;&#246;           > 10 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021973D3B200, 16 bytes long.
 Data: <p &#176;&#249;&#246;           > 70 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021973D3AC60, 16 bytes long.
 Data: < &#192;&#174;&#249;&#246;           > 18 C0 AE F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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