Task 38683414

Name test_625-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2581_1
Workunit 31615093
Created 27 Oct 2026, 11:43:31 UTC
Sent 27 Oct 2026, 11:43:36 UTC
Report deadline 1 Nov 2026, 11:43:36 UTC
Received 27 Oct 2026, 13:14:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520656
Run time 40 min 19 sec
CPU time 35 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,454.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.45 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:32:24 (9856): wrapper (7.9.26016): starting
08:32:24 (9856): 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
08:32:27 (9856): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:32:27 (9856): 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\16\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\16\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
09:14:20 (9856): C:/Windows/system32/cmd.exe exited; CPU time 2145.625000
09:14:20 (9856): 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: 36869875 bytes.
Dumping objects ->
{3835258} normal block at 0x0000020C4F8BD2D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000020C4F8BD570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000020C4F8BCEE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000020C4DAE4CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020C4DAE52D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000020C4F904590, 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) : {3835170} normal block at 0x0000020C4DADE340, 8 bytes long.
 Data: <  &#255;M    > 00 00 FF 4D 0C 02 00 00 
{3833961} normal block at 0x0000020C4DADDDF0, 8 bytes long.
 Data: <&#192;T&#150;O    > C0 54 96 4F 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020C4DAE19F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020C4DAD6670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020C4DAE6050, 16 bytes long.
 Data: < [&#174;M            > 98 5B AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020C4DAE6230, 16 bytes long.
 Data: <p[&#174;M            > 70 5B AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C4DADF640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020C4DAE64B0, 16 bytes long.
 Data: <H[&#174;M            > 48 5B AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C4DAE61E0, 16 bytes long.
 Data: < [&#174;M            > 20 5B AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C4DAE6730, 16 bytes long.
 Data: <&#248;Z&#174;M            > F8 5A AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C4DAE6820, 16 bytes long.
 Data: <&#208;Z&#174;M            > D0 5A AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C4DAE4D90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020C4DAE6140, 16 bytes long.
 Data: <&#216;&#147;&#173;M            > D8 93 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C4DADFEE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020C4DAE5E20, 16 bytes long.
 Data: <&#176;&#147;&#173;M            > B0 93 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C4DAE6460, 16 bytes long.
 Data: < &#147;&#173;M            > 88 93 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C4DAE5EC0, 16 bytes long.
 Data: <`&#147;&#173;M            > 60 93 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C4DAE6960, 16 bytes long.
 Data: <8&#147;&#173;M            > 38 93 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C4DAE5DD0, 16 bytes long.
 Data: < &#147;&#173;M            > 10 93 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C4DAE6640, 16 bytes long.
 Data: <&#232;&#146;&#173;M            > E8 92 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C4DADF280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020C4DAE6190, 16 bytes long.
 Data: <&#192;&#146;&#173;M            > C0 92 AD 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C4DAD92C0, 320 bytes long.
 Data: < a&#174;M     &#242;&#173;M    > 90 61 AE 4D 0C 02 00 00 80 F2 AD 4D 0C 02 00 00 
{276} normal block at 0x0000020C4DAE5FB0, 16 bytes long.
 Data: <&#176;Z&#174;M            > B0 5A AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C4DAE66E0, 16 bytes long.
 Data: < Z&#174;M            > 88 5A AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C4DADF4C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020C4DAE5F60, 16 bytes long.
 Data: <`Z&#174;M            > 60 5A AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C4DADFE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020C4DAE6000, 16 bytes long.
 Data: <&#168;Y&#174;M            > A8 59 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C4DAE6B90, 16 bytes long.
 Data: < Y&#174;M            > 80 59 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C4DAE6500, 16 bytes long.
 Data: <XY&#174;M            > 58 59 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C4DAE6A50, 16 bytes long.
 Data: <0Y&#174;M            > 30 59 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C4DAE5CE0, 16 bytes long.
 Data: < Y&#174;M            > 08 59 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C4DADE2F0, 16 bytes long.
 Data: <&#224;X&#174;M            > E0 58 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C4DADE0C0, 16 bytes long.
 Data: <`R&#174;M            > 60 52 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C4DAE5260, 40 bytes long.
 Data: <&#192;&#224;&#173;M     E O    > C0 E0 AD 4D 0C 02 00 00 90 45 90 4F 0C 02 00 00 
{262} normal block at 0x0000020C4DADE070, 16 bytes long.
 Data: <&#192;X&#174;M            > C0 58 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C4DADD850, 16 bytes long.
 Data: < X&#174;M            > 98 58 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C4DADFDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020C4DADDF80, 16 bytes long.
 Data: <pX&#174;M            > 70 58 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C4DAE5870, 992 bytes long.
 Data: < &#223;&#173;M    &#192;&#253;&#173;M    > 80 DF AD 4D 0C 02 00 00 C0 FD AD 4D 0C 02 00 00 
{94} normal block at 0x0000020C4DADFD60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020C4DADD760, 16 bytes long.
 Data: <&#160;P&#174;M            > A0 50 AE 4D 0C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020C4DAE50A0, 40 bytes long.
 Data: <`&#215;&#173;M    `&#253;&#173;M    > 60 D7 AD 4D 0C 02 00 00 60 FD AD 4D 0C 02 00 00 
{71} normal block at 0x0000020C4DADDCB0, 16 bytes long.
 Data: < &#234;&#239;N&#246;           > 80 EA EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020C4DADD990, 16 bytes long.
 Data: <@&#233;&#239;N&#246;           > 40 E9 EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C4DADDEE0, 16 bytes long.
 Data: <&#248;W&#236;N&#246;           > F8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C4DADE020, 16 bytes long.
 Data: <&#216;W&#236;N&#246;           > D8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C4DADD710, 16 bytes long.
 Data: <P &#236;N&#246;           > 50 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C4DADD940, 16 bytes long.
 Data: <0 &#236;N&#246;           > 30 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C4DADE250, 16 bytes long.
 Data: <&#224; &#236;N&#246;           > E0 02 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C4DADD620, 16 bytes long.
 Data: <  &#236;N&#246;           > 10 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C4DADE390, 16 bytes long.
 Data: <p &#236;N&#246;           > 70 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C4DADDC60, 16 bytes long.
 Data: < &#192;&#234;N&#246;           > 18 C0 EA 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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