Task 38699571

Name test_170-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7067_0
Workunit 31639961
Created 4 Nov 2026, 17:13:38 UTC
Sent 4 Nov 2026, 17:13:42 UTC
Report deadline 9 Nov 2026, 17:13:42 UTC
Received 6 Nov 2026, 13:17:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611392
Run time 1 hours 37 min 52 sec
CPU time 1 hours 27 min 41 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 652.61 MB
Peak swap size 2.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:40:19 (9500): wrapper (7.9.26016): starting
12:40:19 (9500): 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
12:40:21 (9500): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:40:21 (9500): 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
14:15:53 (9500): C:/Windows/system32/cmd.exe exited; CPU time 5261.046875
14:15:53 (9500): 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: 70108073 bytes.
Dumping objects ->
{3835193} normal block at 0x00000232253CB4E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x00000232253CB2B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x00000232253CAFA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x000002322383DBF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002322383E1A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000023225411FB0, 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) : {3835105} normal block at 0x0000023223837360, 8 bytes long.
 Data: <  0%2   > 00 00 30 25 32 02 00 00 
{3833963} normal block at 0x0000023223837A90, 8 bytes long.
 Data: <&#224;-G%2   > E0 2D 47 25 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023223842400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002322382D8D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000232238438F0, 16 bytes long.
 Data: <(G&#132;#2           > 28 47 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023223843E90, 16 bytes long.
 Data: < G&#132;#2           > 00 47 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002322383C430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000023223843C60, 16 bytes long.
 Data: <&#216;F&#132;#2           > D8 46 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000232238438A0, 16 bytes long.
 Data: <&#176;F&#132;#2           > B0 46 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023223843850, 16 bytes long.
 Data: < F&#132;#2           > 88 46 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023223843D50, 16 bytes long.
 Data: <`F&#132;#2           > 60 46 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002322383E280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000023223844390, 16 bytes long.
 Data: <H&#218; #2           > 48 DA 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002322383CBB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000023223843DF0, 16 bytes long.
 Data: < &#218; #2           > 20 DA 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000232238440C0, 16 bytes long.
 Data: <&#248;&#217; #2           > F8 D9 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023223843BC0, 16 bytes long.
 Data: <&#208;&#217; #2           > D0 D9 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023223843F80, 16 bytes long.
 Data: <&#168;&#217; #2           > A8 D9 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023223844340, 16 bytes long.
 Data: < &#217; #2           > 80 D9 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023223843760, 16 bytes long.
 Data: <X&#217; #2           > 58 D9 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002322383C490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000023223843670, 16 bytes long.
 Data: <0&#217; #2           > 30 D9 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002322383D930, 320 bytes long.
 Data: <p6&#132;#2    &#196; #2   > 70 36 84 23 32 02 00 00 90 C4 83 23 32 02 00 00 
{277} normal block at 0x0000023223843580, 16 bytes long.
 Data: <@F&#132;#2           > 40 46 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023223843DA0, 16 bytes long.
 Data: < F&#132;#2           > 18 46 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002322383C730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000023223843B70, 16 bytes long.
 Data: <&#240;E&#132;#2           > F0 45 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002322383C9D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000023223844020, 16 bytes long.
 Data: <8E&#132;#2           > 38 45 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000232238442F0, 16 bytes long.
 Data: < E&#132;#2           > 10 45 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023223843AD0, 16 bytes long.
 Data: <&#232;D&#132;#2           > E8 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023223843800, 16 bytes long.
 Data: <&#192;D&#132;#2           > C0 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023223843FD0, 16 bytes long.
 Data: < D&#132;#2           > 98 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023223843B20, 16 bytes long.
 Data: <pD&#132;#2           > 70 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023223843F30, 16 bytes long.
 Data: <`&#220; #2           > 60 DC 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002322383DC60, 40 bytes long.
 Data: <0?&#132;#2   &#176; A%2   > 30 3F 84 23 32 02 00 00 B0 1F 41 25 32 02 00 00 
{263} normal block at 0x0000023223844250, 16 bytes long.
 Data: <PD&#132;#2           > 50 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000232238439E0, 16 bytes long.
 Data: <(D&#132;#2           > 28 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002322383CC10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000023223843440, 16 bytes long.
 Data: < D&#132;#2           > 00 44 84 23 32 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023223844400, 992 bytes long.
 Data: <@4&#132;#2    &#204; #2   > 40 34 84 23 32 02 00 00 10 CC 83 23 32 02 00 00 
{95} normal block at 0x000002322383C910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000023223837770, 16 bytes long.
 Data: < &#226; #2           > 10 E2 83 23 32 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002322383E210, 40 bytes long.
 Data: <pw #2    &#201; #2   > 70 77 83 23 32 02 00 00 10 C9 83 23 32 02 00 00 
{72} normal block at 0x00000232238380D0, 16 bytes long.
 Data: < &#234;&#193;&#133;&#246;           > 80 EA C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023223837310, 16 bytes long.
 Data: <@&#233;&#193;&#133;&#246;           > 40 E9 C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000232238373B0, 16 bytes long.
 Data: <&#248;W&#190;&#133;&#246;           > F8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023223837900, 16 bytes long.
 Data: <&#216;W&#190;&#133;&#246;           > D8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023223837FE0, 16 bytes long.
 Data: <P &#190;&#133;&#246;           > 50 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023223837630, 16 bytes long.
 Data: <0 &#190;&#133;&#246;           > 30 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023223837450, 16 bytes long.
 Data: <&#224; &#190;&#133;&#246;           > E0 02 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023223838080, 16 bytes long.
 Data: <  &#190;&#133;&#246;           > 10 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023223837B30, 16 bytes long.
 Data: <p &#190;&#133;&#246;           > 70 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023223837E00, 16 bytes long.
 Data: < &#192;&#188;&#133;&#246;           > 18 C0 BC 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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