Task 38674024

Name test_240-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6254_0
Workunit 31616076
Created 26 Oct 2026, 4:04:48 UTC
Sent 26 Oct 2026, 4:04:52 UTC
Report deadline 31 Oct 2026, 4:04:52 UTC
Received 26 Oct 2026, 4:27:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 22 min 11 sec
CPU time 18 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.86 MB
Peak swap size 8.62 GB
Peak disk usage 4.15 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:06:23 (42004): wrapper (7.9.26016): starting
05:06:23 (42004): 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
05:06:24 (42004): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:06:24 (42004): 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
05:27:09 (42004): C:/Windows/system32/cmd.exe exited; CPU time 1099.718750
05:27:09 (42004): 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: 27770655 bytes.
Dumping objects ->
{3835219} normal block at 0x000001E67C0AE5F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001E67C0AE580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001E67C0ADB70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001E67C0AD940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001E67A384F00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001E67C0F4DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001E67C10ED20, 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) : {3835130} normal block at 0x000001E67A37E120, 8 bytes long.
 Data: <  wz&#230;   > 00 00 77 7A E6 01 00 00 
{3834536} normal block at 0x000001E67C10EDD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001E67A37E170, 8 bytes long.
 Data: <&#240;; |&#230;   > F0 3B 15 7C E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E67A381F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E67A375B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001E67A386460, 16 bytes long.
 Data: <hp8z&#230;           > 68 70 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E67A386AF0, 16 bytes long.
 Data: <@p8z&#230;           > 40 70 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E67A37FDA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001E67A386230, 16 bytes long.
 Data: < p8z&#230;           > 18 70 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E67A386AA0, 16 bytes long.
 Data: <&#240;o8z&#230;           > F0 6F 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E67A386640, 16 bytes long.
 Data: <&#200;o8z&#230;           > C8 6F 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E67A386A00, 16 bytes long.
 Data: <&#160;o8z&#230;           > A0 6F 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E67A3851A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001E67A386A50, 16 bytes long.
 Data: < &#185;6z&#230;           > 98 B9 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E67A380220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001E67A3868C0, 16 bytes long.
 Data: <p&#185;6z&#230;           > 70 B9 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E67A386870, 16 bytes long.
 Data: <H&#185;6z&#230;           > 48 B9 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E67A385DD0, 16 bytes long.
 Data: < &#185;6z&#230;           > 20 B9 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E67A386410, 16 bytes long.
 Data: <&#248;&#184;6z&#230;           > F8 B8 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E67A3864B0, 16 bytes long.
 Data: <&#208;&#184;6z&#230;           > D0 B8 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E67A3869B0, 16 bytes long.
 Data: <&#168;&#184;6z&#230;           > A8 B8 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E67A37FCE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001E67A3865F0, 16 bytes long.
 Data: < &#184;6z&#230;           > 80 B8 36 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E67A36B880, 320 bytes long.
 Data: <&#240;e8z&#230;   &#224;&#252;7z&#230;   > F0 65 38 7A E6 01 00 00 E0 FC 37 7A E6 01 00 00 
{276} normal block at 0x000001E67A386820, 16 bytes long.
 Data: < o8z&#230;           > 80 6F 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E67A386C80, 16 bytes long.
 Data: <Xo8z&#230;           > 58 6F 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E67A37FC20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001E67A3867D0, 16 bytes long.
 Data: <0o8z&#230;           > 30 6F 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E67A380460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001E67A386500, 16 bytes long.
 Data: <xn8z&#230;           > 78 6E 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E67A3860F0, 16 bytes long.
 Data: <Pn8z&#230;           > 50 6E 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E67A386690, 16 bytes long.
 Data: <(n8z&#230;           > 28 6E 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E67A386780, 16 bytes long.
 Data: < n8z&#230;           > 00 6E 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E67A386370, 16 bytes long.
 Data: <&#216;m8z&#230;           > D8 6D 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E67A386910, 16 bytes long.
 Data: <&#176;m8z&#230;           > B0 6D 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E67A3862D0, 16 bytes long.
 Data: < U8z&#230;           > 90 55 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E67A385590, 40 bytes long.
 Data: <&#208;b8z&#230;   &#176;M |&#230;   > D0 62 38 7A E6 01 00 00 B0 4D 0F 7C E6 01 00 00 
{262} normal block at 0x000001E67A386CD0, 16 bytes long.
 Data: < m8z&#230;           > 90 6D 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E67A386320, 16 bytes long.
 Data: <hm8z&#230;           > 68 6D 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E67A380280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001E67A386280, 16 bytes long.
 Data: <@m8z&#230;           > 40 6D 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E67A386D40, 992 bytes long.
 Data: < b8z&#230;     8z&#230;   > 80 62 38 7A E6 01 00 00 80 02 38 7A E6 01 00 00 
{94} normal block at 0x000001E67A380160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001E67A37DDB0, 16 bytes long.
 Data: <0Q8z&#230;           > 30 51 38 7A E6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E67A385130, 40 bytes long.
 Data: <&#176;&#221;7z&#230;   ` 8z&#230;   > B0 DD 37 7A E6 01 00 00 60 01 38 7A E6 01 00 00 
{71} normal block at 0x000001E67A37DD10, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E67A37DCC0, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E67A37E580, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E67A37E440, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E67A37DFE0, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E67A37DAE0, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E67A37E5D0, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E67A37D950, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E67A37E300, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E67A37D7C0, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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