Task 38687043

Name test_16-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9582_0
Workunit 31628449
Created 28 Oct 2026, 5:43:08 UTC
Sent 28 Oct 2026, 5:43:17 UTC
Report deadline 2 Nov 2026, 5:43:17 UTC
Received 28 Oct 2026, 6:27:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 43 min 44 sec
CPU time 39 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.00 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:44:53 (4344): wrapper (7.9.26016): starting
23:44:53 (4344): 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
23:44:55 (4344): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:44:55 (4344): 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\19\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\19\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
00:27:09 (4344): C:/Windows/system32/cmd.exe exited; CPU time 2390.593750
00:27:09 (4344): 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: 60057341 bytes.
Dumping objects ->
{3835483} normal block at 0x0000020285CDCD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000202840249E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x0000020284024900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x0000020284024890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x0000020284024820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x0000020285D29880, 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) : {3835395} normal block at 0x0000020284020EF0, 8 bytes long.
 Data: <  &#253;&#131;    > 00 00 FD 83 02 02 00 00 
{3833957} normal block at 0x0000020284021260, 8 bytes long.
 Data: <&#176;A &#132;    > B0 41 02 84 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020284016B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020284017E70, 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 0x0000020284025AC0, 16 bytes long.
 Data: < g &#132;            > 18 67 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020284026290, 16 bytes long.
 Data: <&#240;f &#132;            > F0 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002028401FCB0, 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 0x0000020284025FC0, 16 bytes long.
 Data: <&#200;f &#132;            > C8 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020284025F70, 16 bytes long.
 Data: <&#160;f &#132;            > A0 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020284026060, 16 bytes long.
 Data: <xf &#132;            > 78 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020284026330, 16 bytes long.
 Data: <Pf &#132;            > 50 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020284024AC0, 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 0x0000020284026150, 16 bytes long.
 Data: < &#185; &#132;            > 08 B9 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020284020430, 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 0x0000020284025610, 16 bytes long.
 Data: <&#224;&#184; &#132;            > E0 B8 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020284025ED0, 16 bytes long.
 Data: <&#184;&#184; &#132;            > B8 B8 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000202840255C0, 16 bytes long.
 Data: < &#184; &#132;            > 90 B8 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020284025D90, 16 bytes long.
 Data: <h&#184; &#132;            > 68 B8 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020284025C50, 16 bytes long.
 Data: <@&#184; &#132;            > 40 B8 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020284025C00, 16 bytes long.
 Data: < &#184; &#132;            > 18 B8 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000202840207F0, 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 0x0000020284026240, 16 bytes long.
 Data: <&#240;&#183; &#132;            > F0 B7 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002028400B7F0, 320 bytes long.
 Data: <@b &#132;    &#240;  &#132;    > 40 62 02 84 02 02 00 00 F0 07 02 84 02 02 00 00 
{274} normal block at 0x0000020284025F20, 16 bytes long.
 Data: <0f &#132;            > 30 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020284025E30, 16 bytes long.
 Data: < f &#132;            > 08 66 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020284020370, 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 0x00000202840261A0, 16 bytes long.
 Data: <&#224;e &#132;            > E0 65 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002028401FD70, 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 0x0000020284025DE0, 16 bytes long.
 Data: <(e &#132;            > 28 65 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020284025CF0, 16 bytes long.
 Data: < e &#132;            > 00 65 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020284025E80, 16 bytes long.
 Data: <&#216;d &#132;            > D8 64 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020284025840, 16 bytes long.
 Data: <&#176;d &#132;            > B0 64 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000202840257F0, 16 bytes long.
 Data: < d &#132;            > 88 64 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000202840259D0, 16 bytes long.
 Data: <`d &#132;            > 60 64 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000202840262E0, 16 bytes long.
 Data: <pI &#132;            > 70 49 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020284024970, 40 bytes long.
 Data: <&#224;b &#132;      &#210;&#133;    > E0 62 02 84 02 02 00 00 80 98 D2 85 02 02 00 00 
{260} normal block at 0x0000020284026100, 16 bytes long.
 Data: <@d &#132;            > 40 64 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000202840261F0, 16 bytes long.
 Data: < d &#132;            > 18 64 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000202840202B0, 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 0x00000202840257A0, 16 bytes long.
 Data: <&#240;c &#132;            > F0 63 02 84 02 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000202840263F0, 992 bytes long.
 Data: <&#160;W &#132;    &#176;  &#132;    > A0 57 02 84 02 02 00 00 B0 02 02 84 02 02 00 00 
{92} normal block at 0x00000202840203D0, 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 0x0000020284021800, 16 bytes long.
 Data: <`&#233; &#132;            > 60 E9 00 84 02 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002028400E960, 40 bytes long.
 Data: <   &#132;    &#208;  &#132;    > 00 18 02 84 02 02 00 00 D0 03 02 84 02 02 00 00 
{69} normal block at 0x0000020284020AE0, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020284020E00, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020284021670, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020284020E50, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020284021300, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020284020EA0, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000202840212B0, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020284021760, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020284020D10, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020284021850, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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