Task 38688454

Name test_809-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3938_0
Workunit 31629806
Created 28 Oct 2026, 14:03:36 UTC
Sent 28 Oct 2026, 14:03:44 UTC
Report deadline 2 Nov 2026, 14:03:44 UTC
Received 28 Oct 2026, 15:15:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 31 min 52 sec
CPU time 22 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.70 MB
Peak swap size 13.16 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:41:56 (21216): wrapper (7.9.26016): starting
07:42:00 (21216): 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
07:42:12 (21216): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:42:12 (21216): 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\34\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\34\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
08:13:01 (21216): C:/Windows/system32/cmd.exe exited; CPU time 1322.734375
08:13:01 (21216): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 bytes in 8 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: 18939161 bytes.
Dumping objects ->
{3835570} normal block at 0x000002AD2E28BDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000002AD2C4944A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000002AD2C4943C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x000002AD2C494350, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000002AD2C494970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x000002AD2E2D6940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000002AD2E3344C0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835480} normal block at 0x000002AD2C48ED10, 8 bytes long.
 Data: <  &#162;,&#173;   > 00 00 A2 2C AD 02 00 00 
{3834699} normal block at 0x000002AD2E334760, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002AD2C48E130, 8 bytes long.
 Data: <`K6.&#173;   > 60 4B 36 2E AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002AD2C490150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AD2C4855C0, 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 0x000002AD2C494D70, 16 bytes long.
 Data: < _I,&#173;           > 18 5F 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AD2C495B30, 16 bytes long.
 Data: <&#240;^I,&#173;           > F0 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AD2C48F100, 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 0x000002AD2C495A40, 16 bytes long.
 Data: <&#200;^I,&#173;           > C8 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AD2C495180, 16 bytes long.
 Data: <&#160;^I,&#173;           > A0 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AD2C4950E0, 16 bytes long.
 Data: <x^I,&#173;           > 78 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AD2C494E60, 16 bytes long.
 Data: <P^I,&#173;           > 50 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AD2C494510, 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 0x000002AD2C495B80, 16 bytes long.
 Data: <x&#221;H,&#173;           > 78 DD 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AD2C48F6A0, 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 0x000002AD2C495090, 16 bytes long.
 Data: <P&#221;H,&#173;           > 50 DD 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AD2C495040, 16 bytes long.
 Data: <(&#221;H,&#173;           > 28 DD 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AD2C495630, 16 bytes long.
 Data: < &#221;H,&#173;           > 00 DD 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AD2C494E10, 16 bytes long.
 Data: <&#216;&#220;H,&#173;           > D8 DC 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AD2C494EB0, 16 bytes long.
 Data: <&#176;&#220;H,&#173;           > B0 DC 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AD2C494F50, 16 bytes long.
 Data: < &#220;H,&#173;           > 88 DC 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AD2C48F0A0, 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 0x000002AD2C495360, 16 bytes long.
 Data: <`&#220;H,&#173;           > 60 DC 48 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AD2C48DC60, 320 bytes long.
 Data: <`SI,&#173;   &#160;&#240;H,&#173;   > 60 53 49 2C AD 02 00 00 A0 F0 48 2C AD 02 00 00 
{276} normal block at 0x000002AD2C4959F0, 16 bytes long.
 Data: <0^I,&#173;           > 30 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AD2C495220, 16 bytes long.
 Data: < ^I,&#173;           > 08 5E 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AD2C48F280, 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 0x000002AD2C495AE0, 16 bytes long.
 Data: <&#224;]I,&#173;           > E0 5D 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AD2C48FDC0, 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 0x000002AD2C4957C0, 16 bytes long.
 Data: <(]I,&#173;           > 28 5D 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AD2C495810, 16 bytes long.
 Data: < ]I,&#173;           > 00 5D 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AD2C495310, 16 bytes long.
 Data: <&#216;\I,&#173;           > D8 5C 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AD2C495720, 16 bytes long.
 Data: <&#176;\I,&#173;           > B0 5C 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AD2C4955E0, 16 bytes long.
 Data: < \I,&#173;           > 88 5C 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AD2C4959A0, 16 bytes long.
 Data: <`\I,&#173;           > 60 5C 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AD2C4954F0, 16 bytes long.
 Data: <@GI,&#173;           > 40 47 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AD2C494740, 40 bytes long.
 Data: <&#240;TI,&#173;   @i-.&#173;   > F0 54 49 2C AD 02 00 00 40 69 2D 2E AD 02 00 00 
{262} normal block at 0x000002AD2C494C30, 16 bytes long.
 Data: <@\I,&#173;           > 40 5C 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AD2C495950, 16 bytes long.
 Data: < \I,&#173;           > 18 5C 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AD2C48F520, 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 0x000002AD2C495860, 16 bytes long.
 Data: <&#240;[I,&#173;           > F0 5B 49 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AD2C495BF0, 992 bytes long.
 Data: <`XI,&#173;    &#245;H,&#173;   > 60 58 49 2C AD 02 00 00 20 F5 48 2C AD 02 00 00 
{94} normal block at 0x000002AD2C48F640, 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 0x000002AD2C48E810, 16 bytes long.
 Data: <&#176;&#239;G,&#173;           > B0 EF 47 2C AD 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002AD2C47EFB0, 40 bytes long.
 Data: < &#232;H,&#173;   @&#246;H,&#173;   > 10 E8 48 2C AD 02 00 00 40 F6 48 2C AD 02 00 00 
{71} normal block at 0x000002AD2C48ECC0, 16 bytes long.
 Data: < &#234;#A&#247;           > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AD2C48E900, 16 bytes long.
 Data: <@&#233;#A&#247;           > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AD2C48DF50, 16 bytes long.
 Data: <&#248;W A&#247;           > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AD2C48EE00, 16 bytes long.
 Data: <&#216;W A&#247;           > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AD2C48DF00, 16 bytes long.
 Data: <P  A&#247;           > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AD2C48DEB0, 16 bytes long.
 Data: <0  A&#247;           > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AD2C48E860, 16 bytes long.
 Data: <&#224;  A&#247;           > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AD2C48EB80, 16 bytes long.
 Data: <   A&#247;           > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AD2C48EDB0, 16 bytes long.
 Data: <p  A&#247;           > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AD2C48E040, 16 bytes long.
 Data: < &#192; A&#247;           > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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