Task 38579603

Name t1_9-SFARR_TEST_ATM_12_2025-3-5-RND5883_0
Workunit 31544957
Created 10 Dec 2025, 14:04:56 UTC
Sent 10 Dec 2025, 14:05:00 UTC
Report deadline 15 Dec 2025, 14:05:00 UTC
Received 10 Dec 2025, 15:54:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 400693
Run time 1 hours 37 min 14 sec
CPU time 1 hours 29 min 8 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 4,172.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.55 MB
Peak swap size 3.70 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:19:43 (5636): wrapper (7.9.26016): starting
15:19:43 (5636): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12_sys.xml
nodefile
run.bat
run.sh
15:19:46 (5636): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:19:47 (5636): 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
16:53:04 (5636): C:/Windows/system32/cmd.exe exited; CPU time 5348.468750
16:53:04 (5636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 57940315 bytes.
Dumping objects ->
{3835132} normal block at 0x0000017358D70A30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x0000017358D714B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835110} normal block at 0x0000017358D710C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835099} normal block at 0x0000017358D71050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835088} normal block at 0x0000017358D70B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835057} normal block at 0x0000017358E65090, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835046} normal block at 0x00000173573EE0E0, 145 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) : {3835043} normal block at 0x0000017357396C40, 8 bytes long.
 Data: <  &#194;Xs   > 00 00 C2 58 73 01 00 00 
{3834495} normal block at 0x00000173573ECD60, 145 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 0x0000017357396BF0, 8 bytes long.
 Data: <P"&#236;Xs   > 50 22 EC 58 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000173573A1890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001735739D190, 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 0x00000173573A2F60, 16 bytes long.
 Data: <&#200;>:Ws           > C8 3E 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000173573A2880, 16 bytes long.
 Data: <&#160;>:Ws           > A0 3E 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001735739BA90, 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 0x00000173573A2830, 16 bytes long.
 Data: <x>:Ws           > 78 3E 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000173573A27E0, 16 bytes long.
 Data: <P>:Ws           > 50 3E 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000173573A2EC0, 16 bytes long.
 Data: <(>:Ws           > 28 3E 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000173573A2B00, 16 bytes long.
 Data: < >:Ws           > 00 3E 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001735739DB00, 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 0x00000173573A2E70, 16 bytes long.
 Data: <8&#191;8Ws           > 38 BF 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001735739B910, 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 0x00000173573A3050, 16 bytes long.
 Data: < &#191;8Ws           > 10 BF 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173573A3550, 16 bytes long.
 Data: <&#232;&#190;8Ws           > E8 BE 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000173573A3500, 16 bytes long.
 Data: <&#192;&#190;8Ws           > C0 BE 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000173573A35A0, 16 bytes long.
 Data: < &#190;8Ws           > 98 BE 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000173573A2DD0, 16 bytes long.
 Data: <p&#190;8Ws           > 70 BE 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173573A36E0, 16 bytes long.
 Data: <H&#190;8Ws           > 48 BE 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001735739BA30, 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 0x00000173573A2BF0, 16 bytes long.
 Data: < &#190;8Ws           > 20 BE 38 57 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001735738BE20, 320 bytes long.
 Data: <&#240;+:Ws   0&#186;9Ws   > F0 2B 3A 57 73 01 00 00 30 BA 39 57 73 01 00 00 
{273} normal block at 0x00000173573A2D30, 16 bytes long.
 Data: <&#224;=:Ws           > E0 3D 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173573A2AB0, 16 bytes long.
 Data: <&#184;=:Ws           > B8 3D 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001735739BEB0, 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 0x00000173573A3640, 16 bytes long.
 Data: < =:Ws           > 90 3D 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001735739BB50, 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 0x00000173573A2A60, 16 bytes long.
 Data: <&#216;<:Ws           > D8 3C 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000173573A2BA0, 16 bytes long.
 Data: <&#176;<:Ws           > B0 3C 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000173573A35F0, 16 bytes long.
 Data: < <:Ws           > 88 3C 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000173573A34B0, 16 bytes long.
 Data: <`<:Ws           > 60 3C 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000173573A2A10, 16 bytes long.
 Data: <8<:Ws           > 38 3C 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000173573A2970, 16 bytes long.
 Data: < <:Ws           > 10 3C 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000173573A3140, 16 bytes long.
 Data: <0&#214;9Ws           > 30 D6 39 57 73 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001735739D630, 40 bytes long.
 Data: <@1:Ws    P&#230;Xs   > 40 31 3A 57 73 01 00 00 90 50 E6 58 73 01 00 00 
{259} normal block at 0x00000173573A3460, 16 bytes long.
 Data: <&#240;;:Ws           > F0 3B 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000173573A3320, 16 bytes long.
 Data: <&#200;;:Ws           > C8 3B 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001735739B7F0, 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 0x00000173573A3410, 16 bytes long.
 Data: <&#160;;:Ws           > A0 3B 3A 57 73 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000173573A3BA0, 992 bytes long.
 Data: < 4:Ws   &#240;&#183;9Ws   > 10 34 3A 57 73 01 00 00 F0 B7 39 57 73 01 00 00 
{91} normal block at 0x000001735739BF70, 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 0x0000017357396EC0, 16 bytes long.
 Data: <&#240;&#215;9Ws           > F0 D7 39 57 73 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001735739D7F0, 40 bytes long.
 Data: <&#192;n9Ws   p&#191;9Ws   > C0 6E 39 57 73 01 00 00 70 BF 39 57 73 01 00 00 
{68} normal block at 0x0000017357396A60, 16 bytes long.
 Data: < &#234;^b&#247;           > 80 EA 5E 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017357396BA0, 16 bytes long.
 Data: <@&#233;^b&#247;           > 40 E9 5E 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017357396B50, 16 bytes long.
 Data: <&#248;W[b&#247;           > F8 57 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017357396DD0, 16 bytes long.
 Data: <&#216;W[b&#247;           > D8 57 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000173573969C0, 16 bytes long.
 Data: <P [b&#247;           > 50 04 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017357397320, 16 bytes long.
 Data: <0 [b&#247;           > 30 04 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017357397820, 16 bytes long.
 Data: <&#224; [b&#247;           > E0 02 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017357396FB0, 16 bytes long.
 Data: <  [b&#247;           > 10 04 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017357396920, 16 bytes long.
 Data: <p [b&#247;           > 70 04 5B 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017357396CE0, 16 bytes long.
 Data: < &#192;Yb&#247;           > 18 C0 59 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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