Task 38699946

Name test_919-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8832_0
Workunit 31640292
Created 6 Nov 2026, 9:06:56 UTC
Sent 6 Nov 2026, 9:06:56 UTC
Report deadline 11 Nov 2026, 9:06:56 UTC
Received 6 Nov 2026, 11:43:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 14 min 21 sec
CPU time 1 hours 9 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 650.91 MB
Peak swap size 2.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:29:57 (9160): wrapper (7.9.26016): starting
11:29:57 (9160): 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
11:29:59 (9160): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:29:59 (9160): 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
12:42:29 (9160): C:/Windows/system32/cmd.exe exited; CPU time 4149.718750
12:42:29 (9160): 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: 50001687 bytes.
Dumping objects ->
{3835183} normal block at 0x0000023039666D50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000023039666570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000230396668F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x00000230396670D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x0000023039666F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x000002303B1A2F90, 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) : {3835095} normal block at 0x0000023039635CC0, 8 bytes long.
 Data: <  	;0   > 00 00 09 3B 30 02 00 00 
{3833951} normal block at 0x0000023039636120, 8 bytes long.
 Data: <p  ;0   > 70 15 20 3B 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023039643350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000230396263E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000023039641DC0, 16 bytes long.
 Data: < 1d90           > 18 31 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023039641FA0, 16 bytes long.
 Data: <&#240;0d90           > F0 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002303963C460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000023039642450, 16 bytes long.
 Data: <&#200;0d90           > C8 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023039642400, 16 bytes long.
 Data: <&#160;0d90           > A0 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000230396427C0, 16 bytes long.
 Data: <x0d90           > 78 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023039642720, 16 bytes long.
 Data: <P0d90           > 50 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002303963A200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000023039642590, 16 bytes long.
 Data: <  d90           > 18 1B 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002303963BDA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000023039642900, 16 bytes long.
 Data: <&#240; d90           > F0 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023039642BD0, 16 bytes long.
 Data: <&#200; d90           > C8 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023039641F50, 16 bytes long.
 Data: <&#160; d90           > A0 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023039641F00, 16 bytes long.
 Data: <x d90           > 78 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023039641D70, 16 bytes long.
 Data: <P d90           > 50 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023039641C80, 16 bytes long.
 Data: <( d90           > 28 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002303963C160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000023039642B80, 16 bytes long.
 Data: <  d90           > 00 1A 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023039641A00, 320 bytes long.
 Data: < +d90   `&#193;c90   > 80 2B 64 39 30 02 00 00 60 C1 63 39 30 02 00 00 
{271} normal block at 0x00000230396424F0, 16 bytes long.
 Data: <00d90           > 30 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023039642130, 16 bytes long.
 Data: < 0d90           > 08 30 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002303963C0A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000023039642AE0, 16 bytes long.
 Data: <&#224;/d90           > E0 2F 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002303963BCE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000023039642540, 16 bytes long.
 Data: <(/d90           > 28 2F 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023039642860, 16 bytes long.
 Data: < /d90           > 00 2F 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000230396423B0, 16 bytes long.
 Data: <&#216;.d90           > D8 2E 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023039641FF0, 16 bytes long.
 Data: <&#176;.d90           > B0 2E 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023039642090, 16 bytes long.
 Data: < .d90           > 88 2E 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000230396429F0, 16 bytes long.
 Data: <`.d90           > 60 2E 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023039642770, 16 bytes long.
 Data: <  c90           > 90 A1 63 39 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002303963A190, 40 bytes long.
 Data: <p'd90    / ;0   > 70 27 64 39 30 02 00 00 90 2F 1A 3B 30 02 00 00 
{257} normal block at 0x00000230396429A0, 16 bytes long.
 Data: <@.d90           > 40 2E 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023039641CD0, 16 bytes long.
 Data: < .d90           > 18 2E 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002303963BBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000023039641EB0, 16 bytes long.
 Data: <&#240;-d90           > F0 2D 64 39 30 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023039642DF0, 992 bytes long.
 Data: <&#176; d90   &#192;&#187;c90   > B0 1E 64 39 30 02 00 00 C0 BB 63 39 30 02 00 00 
{89} normal block at 0x000002303963C520, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000230396361C0, 16 bytes long.
 Data: <&#176;&#167;c90           > B0 A7 63 39 30 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002303963A7B0, 40 bytes long.
 Data: <&#192;ac90    &#197;c90   > C0 61 63 39 30 02 00 00 20 C5 63 39 30 02 00 00 
{66} normal block at 0x00000230396354F0, 16 bytes long.
 Data: < &#234; ?&#246;           > 80 EA A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023039635C70, 16 bytes long.
 Data: <@&#233; ?&#246;           > 40 E9 A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023039635D60, 16 bytes long.
 Data: <&#248;W&#159;?&#246;           > F8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023039636260, 16 bytes long.
 Data: <&#216;W&#159;?&#246;           > D8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023039635BD0, 16 bytes long.
 Data: <P &#159;?&#246;           > 50 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023039635680, 16 bytes long.
 Data: <0 &#159;?&#246;           > 30 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000230396354A0, 16 bytes long.
 Data: <&#224; &#159;?&#246;           > E0 02 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023039636170, 16 bytes long.
 Data: <  &#159;?&#246;           > 10 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000230396356D0, 16 bytes long.
 Data: <p &#159;?&#246;           > 70 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000230396359A0, 16 bytes long.
 Data: < &#192;&#157;?&#246;           > 18 C0 9D 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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