Task 38696504

Name test_963-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9645_0
Workunit 31637135
Created 1 Nov 2026, 0:43:03 UTC
Sent 1 Nov 2026, 0:43:09 UTC
Report deadline 6 Nov 2026, 0:43:09 UTC
Received 1 Nov 2026, 1:14:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549691
Run time 30 min 15 sec
CPU time 29 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.79 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:44:19 (39568): wrapper (7.9.26016): starting
20:44:19 (39568): 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
20:44:20 (39568): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:44:20 (39568): 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: Exiting with failure status due to previous errors
21:14:24 (39568): C:/Windows/system32/cmd.exe exited; CPU time 1770.078125
21:14:24 (39568): 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: 39581053 bytes.
Dumping objects ->
{3835407} normal block at 0x0000021641490FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x0000021641491170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000021641491020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835374} normal block at 0x00000216414911E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000021641491100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835332} normal block at 0x000002164158CF50, 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) : {3835319} normal block at 0x000002163F9476A0, 8 bytes long.
 Data: <  JA    > 00 00 4A 41 16 02 00 00 
{3833957} normal block at 0x000002163F947A60, 8 bytes long.
 Data: <  cA    > 80 20 63 41 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002163F951040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002163F93B450, 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 0x000002163F953020, 16 bytes long.
 Data: <&#200;C&#149;?            > C8 43 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002163F952FD0, 16 bytes long.
 Data: <&#160;C&#149;?            > A0 43 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002163F94E7D0, 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 0x000002163F952D00, 16 bytes long.
 Data: <xC&#149;?            > 78 43 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002163F952F80, 16 bytes long.
 Data: <PC&#149;?            > 50 43 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002163F952940, 16 bytes long.
 Data: <(C&#149;?            > 28 43 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002163F9528F0, 16 bytes long.
 Data: < C&#149;?            > 00 43 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002163F94DAF0, 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 0x000002163F952800, 16 bytes long.
 Data: <&#200;`&#147;?            > C8 60 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002163F94ECB0, 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 0x000002163F952120, 16 bytes long.
 Data: <&#160;`&#147;?            > A0 60 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002163F952710, 16 bytes long.
 Data: <x`&#147;?            > 78 60 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002163F952B70, 16 bytes long.
 Data: <P`&#147;?            > 50 60 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002163F952670, 16 bytes long.
 Data: <(`&#147;?            > 28 60 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002163F952B20, 16 bytes long.
 Data: < `&#147;?            > 00 60 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002163F9526C0, 16 bytes long.
 Data: <&#216;_&#147;?            > D8 5F 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002163F94E6B0, 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 0x000002163F952620, 16 bytes long.
 Data: <&#176;_&#147;?            > B0 5F 93 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002163F935FB0, 320 bytes long.
 Data: < &&#149;?    &#176;&#230;&#148;?    > 20 26 95 3F 16 02 00 00 B0 E6 94 3F 16 02 00 00 
{274} normal block at 0x000002163F9521C0, 16 bytes long.
 Data: <&#224;B&#149;?            > E0 42 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002163F9525D0, 16 bytes long.
 Data: <&#184;B&#149;?            > B8 42 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002163F94E110, 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 0x000002163F952C60, 16 bytes long.
 Data: < B&#149;?            > 90 42 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002163F94EE30, 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 0x000002163F952440, 16 bytes long.
 Data: <&#216;A&#149;?            > D8 41 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002163F9529E0, 16 bytes long.
 Data: <&#176;A&#149;?            > B0 41 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002163F952EE0, 16 bytes long.
 Data: < A&#149;?            > 88 41 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002163F952E90, 16 bytes long.
 Data: <`A&#149;?            > 60 41 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002163F952580, 16 bytes long.
 Data: <8A&#149;?            > 38 41 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002163F9528A0, 16 bytes long.
 Data: < A&#149;?            > 10 41 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002163F9523F0, 16 bytes long.
 Data: <P&#216;&#148;?            > 50 D8 94 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002163F94D850, 40 bytes long.
 Data: <&#240;#&#149;?    P&#207;XA    > F0 23 95 3F 16 02 00 00 50 CF 58 41 16 02 00 00 
{260} normal block at 0x000002163F952F30, 16 bytes long.
 Data: <&#240;@&#149;?            > F0 40 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002163F952DA0, 16 bytes long.
 Data: <&#200;@&#149;?            > C8 40 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002163F94E650, 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 0x000002163F9523A0, 16 bytes long.
 Data: <&#160;@&#149;?            > A0 40 95 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002163F9540A0, 992 bytes long.
 Data: <&#160;#&#149;?    P&#230;&#148;?    > A0 23 95 3F 16 02 00 00 50 E6 94 3F 16 02 00 00 
{92} normal block at 0x000002163F94ED10, 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 0x000002163F9478D0, 16 bytes long.
 Data: < &#221;&#148;?            > 20 DD 94 3F 16 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002163F94DD20, 40 bytes long.
 Data: <&#208;x&#148;?     &#237;&#148;?    > D0 78 94 3F 16 02 00 00 10 ED 94 3F 16 02 00 00 
{69} normal block at 0x000002163F9476F0, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002163F946CF0, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002163F947010, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002163F9471A0, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002163F947330, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002163F947650, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002163F946D90, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002163F9474C0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002163F947880, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002163F947150, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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