Task 38687361

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6570_0
Workunit 31628753
Created 28 Oct 2026, 7:23:40 UTC
Sent 28 Oct 2026, 7:23:45 UTC
Report deadline 2 Nov 2026, 7:23:45 UTC
Received 28 Oct 2026, 7:49:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 42 sec
CPU time 18 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.53 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:29:06 (27360): wrapper (7.9.26016): starting
03:29:06 (27360): 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
03:29:07 (27360): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:29:07 (27360): 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
03:48:59 (27360): C:/Windows/system32/cmd.exe exited; CPU time 1119.609375
03:48:59 (27360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20997003 bytes.
Dumping objects ->
{3835237} normal block at 0x0000026AD75ECE00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000026AD75EC460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000026AD75ECE70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x0000026AD58D44B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000026AD58D4440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000026AD76348B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000026AD764EBF0, 102 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) : {3835148} normal block at 0x0000026AD58D0F00, 8 bytes long.
 Data: <  &#135;&#213;j   > 00 00 87 D5 6A 02 00 00 
{3834547} normal block at 0x0000026AD764E670, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000026AD58D0B90, 8 bytes long.
 Data: < Kl&#215;j   > 00 4B 6C D7 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026AD58C72E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026AD58BFBE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000026AD58D54F0, 16 bytes long.
 Data: <&#184;R &#213;j           > B8 52 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026AD58D5D10, 16 bytes long.
 Data: < R &#213;j           > 90 52 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026AD58CF4A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000026AD58D6080, 16 bytes long.
 Data: <hR &#213;j           > 68 52 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026AD58D5FE0, 16 bytes long.
 Data: <@R &#213;j           > 40 52 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026AD58D5D60, 16 bytes long.
 Data: < R &#213;j           > 18 52 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026AD58D5B30, 16 bytes long.
 Data: <&#240;Q &#213;j           > F0 51 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026AD58D46E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000026AD58D61C0, 16 bytes long.
 Data: <X	&#140;&#213;j           > 58 09 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026AD58D0340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000026AD58D5BD0, 16 bytes long.
 Data: <0	&#140;&#213;j           > 30 09 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026AD58D5810, 16 bytes long.
 Data: < 	&#140;&#213;j           > 08 09 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026AD58D54A0, 16 bytes long.
 Data: <&#224; &#140;&#213;j           > E0 08 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026AD58D5720, 16 bytes long.
 Data: <&#184; &#140;&#213;j           > B8 08 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026AD58D56D0, 16 bytes long.
 Data: <  &#140;&#213;j           > 90 08 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026AD58D6170, 16 bytes long.
 Data: <h &#140;&#213;j           > 68 08 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026AD58D0220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000026AD58D5DB0, 16 bytes long.
 Data: <@ &#140;&#213;j           > 40 08 8C D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026AD58C0840, 320 bytes long.
 Data: <&#176;] &#213;j      &#213;j   > B0 5D 8D D5 6A 02 00 00 20 02 8D D5 6A 02 00 00 
{275} normal block at 0x0000026AD58D5AE0, 16 bytes long.
 Data: <&#208;Q &#213;j           > D0 51 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026AD58D5450, 16 bytes long.
 Data: <&#168;Q &#213;j           > A8 51 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026AD58CFB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000026AD58D55E0, 16 bytes long.
 Data: < Q &#213;j           > 80 51 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026AD58CFF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000026AD58D5400, 16 bytes long.
 Data: <&#200;P &#213;j           > C8 50 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026AD58D5A90, 16 bytes long.
 Data: <&#160;P &#213;j           > A0 50 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026AD58D5CC0, 16 bytes long.
 Data: <xP &#213;j           > 78 50 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026AD58D62B0, 16 bytes long.
 Data: <PP &#213;j           > 50 50 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026AD58D1360, 16 bytes long.
 Data: <(P &#213;j           > 28 50 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026AD58D1040, 16 bytes long.
 Data: < P &#213;j           > 00 50 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026AD58D0D70, 16 bytes long.
 Data: <&#240;I &#213;j           > F0 49 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026AD58D49F0, 40 bytes long.
 Data: <p  &#213;j   &#176;Hc&#215;j   > 70 0D 8D D5 6A 02 00 00 B0 48 63 D7 6A 02 00 00 
{261} normal block at 0x0000026AD58D06E0, 16 bytes long.
 Data: <&#224;O &#213;j           > E0 4F 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026AD58D0FF0, 16 bytes long.
 Data: <&#184;O &#213;j           > B8 4F 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026AD58D0160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000026AD58D0A00, 16 bytes long.
 Data: < O &#213;j           > 90 4F 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026AD58D4F90, 992 bytes long.
 Data: <   &#213;j   `  &#213;j   > 00 0A 8D D5 6A 02 00 00 60 01 8D D5 6A 02 00 00 
{93} normal block at 0x0000026AD58CF680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000026AD58D0C30, 16 bytes long.
 Data: <pF &#213;j           > 70 46 8D D5 6A 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000026AD58D4670, 40 bytes long.
 Data: <0  &#213;j    &#246;&#140;&#213;j   > 30 0C 8D D5 6A 02 00 00 80 F6 8C D5 6A 02 00 00 
{70} normal block at 0x0000026AD58D0960, 16 bytes long.
 Data: < &#234;<M&#247;           > 80 EA 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026AD58D0820, 16 bytes long.
 Data: <@&#233;<M&#247;           > 40 E9 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026AD58D05F0, 16 bytes long.
 Data: <&#248;W9M&#247;           > F8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026AD58D09B0, 16 bytes long.
 Data: <&#216;W9M&#247;           > D8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026AD58D0EB0, 16 bytes long.
 Data: <P 9M&#247;           > 50 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026AD58D1220, 16 bytes long.
 Data: <0 9M&#247;           > 30 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026AD58D12C0, 16 bytes long.
 Data: <&#224; 9M&#247;           > E0 02 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026AD58D07D0, 16 bytes long.
 Data: <  9M&#247;           > 10 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026AD58D10E0, 16 bytes long.
 Data: <p 9M&#247;           > 70 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026AD58D1270, 16 bytes long.
 Data: < &#192;7M&#247;           > 18 C0 37 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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