Task 38697403

Name test_50-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9193_0
Workunit 31637984
Created 1 Nov 2026, 14:04:05 UTC
Sent 1 Nov 2026, 14:04:10 UTC
Report deadline 6 Nov 2026, 14:04:10 UTC
Received 1 Nov 2026, 14:19:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604417
Run time 14 min 53 sec
CPU time 13 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,842.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.63 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:04:57 (14584): wrapper (7.9.26016): starting
15:04:57 (14584): 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
15:04:58 (14584): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:04:58 (14584): 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\1\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\1\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
15:19:12 (14584): C:/Windows/system32/cmd.exe exited; CPU time 827.390625
15:19:12 (14584): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 18890563 bytes.
Dumping objects ->
{3835288} normal block at 0x0000019BA9A4EB80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x0000019BA9A4E100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000019BA9A4EBF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835255} normal block at 0x0000019BA9A4E020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000019BA7D560A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835213} normal block at 0x0000019BA9B3C260, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x0000019BA7DA4B70, 140 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) : {3835199} normal block at 0x0000019BA7D4FEB0, 8 bytes long.
 Data: <  =&#168;&#155;   > 00 00 3D A8 9B 01 00 00 
{3834570} normal block at 0x0000019BA7DA33E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000019BA7D50270, 8 bytes long.
 Data: <&#240;&#151;&#188;&#169;&#155;   > F0 97 BC A9 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000019BA7D4AD20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019BA7D43530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000019BA7D58130, 16 bytes long.
 Data: <&#232;&#142;&#213;&#167;&#155;           > E8 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019BA7D57F50, 16 bytes long.
 Data: <&#192;&#142;&#213;&#167;&#155;           > C0 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019BA7D52540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000019BA7D580E0, 16 bytes long.
 Data: < &#142;&#213;&#167;&#155;           > 98 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019BA7D58220, 16 bytes long.
 Data: <p&#142;&#213;&#167;&#155;           > 70 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019BA7D58770, 16 bytes long.
 Data: <H&#142;&#213;&#167;&#155;           > 48 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019BA7D57C30, 16 bytes long.
 Data: < &#142;&#213;&#167;&#155;           > 20 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019BA7D55EE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000019BA7D57BE0, 16 bytes long.
 Data: < =&#212;&#167;&#155;           > 88 3D D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019BA7D51A60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000019BA7D58360, 16 bytes long.
 Data: <`=&#212;&#167;&#155;           > 60 3D D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019BA7D57EB0, 16 bytes long.
 Data: <8=&#212;&#167;&#155;           > 38 3D D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019BA7D57D70, 16 bytes long.
 Data: < =&#212;&#167;&#155;           > 10 3D D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019BA7D58180, 16 bytes long.
 Data: <&#232;<&#212;&#167;&#155;           > E8 3C D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019BA7D584F0, 16 bytes long.
 Data: <&#192;<&#212;&#167;&#155;           > C0 3C D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019BA7D58720, 16 bytes long.
 Data: < <&#212;&#167;&#155;           > 98 3C D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019BA7D51BE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000019BA7D58630, 16 bytes long.
 Data: <p<&#212;&#167;&#155;           > 70 3C D4 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019BA7D43C70, 320 bytes long.
 Data: <0&#134;&#213;&#167;&#155;   &#224; &#213;&#167;&#155;   > 30 86 D5 A7 9B 01 00 00 E0 1B D5 A7 9B 01 00 00 
{273} normal block at 0x0000019BA7D58860, 16 bytes long.
 Data: < &#142;&#213;&#167;&#155;           > 00 8E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019BA7D585E0, 16 bytes long.
 Data: <&#216;&#141;&#213;&#167;&#155;           > D8 8D D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019BA7D52960, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000019BA7D57B90, 16 bytes long.
 Data: <&#176;&#141;&#213;&#167;&#155;           > B0 8D D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019BA7D52300, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000019BA7D57B40, 16 bytes long.
 Data: <&#248;&#140;&#213;&#167;&#155;           > F8 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019BA7D58900, 16 bytes long.
 Data: <&#208;&#140;&#213;&#167;&#155;           > D0 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019BA7D57AF0, 16 bytes long.
 Data: <&#168;&#140;&#213;&#167;&#155;           > A8 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019BA7D581D0, 16 bytes long.
 Data: < &#140;&#213;&#167;&#155;           > 80 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019BA7D58810, 16 bytes long.
 Data: <X&#140;&#213;&#167;&#155;           > 58 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019BA7D57AA0, 16 bytes long.
 Data: <0&#140;&#213;&#167;&#155;           > 30 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019BA7D57E60, 16 bytes long.
 Data: <p^&#213;&#167;&#155;           > 70 5E D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019BA7D55E70, 40 bytes long.
 Data: <`~&#213;&#167;&#155;   `&#194;&#179;&#169;&#155;   > 60 7E D5 A7 9B 01 00 00 60 C2 B3 A9 9B 01 00 00 
{259} normal block at 0x0000019BA7D58400, 16 bytes long.
 Data: < &#140;&#213;&#167;&#155;           > 10 8C D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019BA7D57A50, 16 bytes long.
 Data: <&#232;&#139;&#213;&#167;&#155;           > E8 8B D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019BA7D523C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000019BA7D57D20, 16 bytes long.
 Data: <&#192;&#139;&#213;&#167;&#155;           > C0 8B D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000019BA7D58BC0, 992 bytes long.
 Data: < }&#213;&#167;&#155;   &#192;#&#213;&#167;&#155;   > 20 7D D5 A7 9B 01 00 00 C0 23 D5 A7 9B 01 00 00 
{91} normal block at 0x0000019BA7D51B20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000019BA7D50040, 16 bytes long.
 Data: <&#208;b&#213;&#167;&#155;           > D0 62 D5 A7 9B 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000019BA7D562D0, 40 bytes long.
 Data: <@ &#213;&#167;&#155;     &#213;&#167;&#155;   > 40 00 D5 A7 9B 01 00 00 20 1B D5 A7 9B 01 00 00 
{68} normal block at 0x0000019BA7D50590, 16 bytes long.
 Data: < &#234;&#247;9&#246;           > 80 EA F7 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019BA7D4FE60, 16 bytes long.
 Data: <@&#233;&#247;9&#246;           > 40 E9 F7 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019BA7D500E0, 16 bytes long.
 Data: <&#248;W&#244;9&#246;           > F8 57 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019BA7D4FE10, 16 bytes long.
 Data: <&#216;W&#244;9&#246;           > D8 57 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019BA7D50310, 16 bytes long.
 Data: <P &#244;9&#246;           > 50 04 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019BA7D50220, 16 bytes long.
 Data: <0 &#244;9&#246;           > 30 04 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019BA7D4FDC0, 16 bytes long.
 Data: <&#224; &#244;9&#246;           > E0 02 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019BA7D50090, 16 bytes long.
 Data: <  &#244;9&#246;           > 10 04 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019BA7D50720, 16 bytes long.
 Data: <p &#244;9&#246;           > 70 04 F4 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019BA7D50680, 16 bytes long.
 Data: < &#192;&#242;9&#246;           > 18 C0 F2 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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