Task 38683696

Name test_427-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3387_0
Workunit 31625247
Created 27 Oct 2026, 12:53:51 UTC
Sent 27 Oct 2026, 12:53:55 UTC
Report deadline 1 Nov 2026, 12:53:55 UTC
Received 27 Oct 2026, 13:23:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 29 min 13 sec
CPU time 26 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 809.17 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:56:03 (44776): wrapper (7.9.26016): starting
05:56:03 (44776): 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
05:56:05 (44776): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:56:05 (44776): 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\32\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\32\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
06:23:23 (44776): C:/Windows/system32/cmd.exe exited; CPU time 1618.812500
06:23:23 (44776): 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: 38660091 bytes.
Dumping objects ->
{3835451} normal block at 0x0000022278236B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000022278236A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000022278236970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000022278236C10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000022278236660, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000002227A0460E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000002227A05F500, 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) : {3835362} normal block at 0x000002227822FA70, 8 bytes long.
 Data: <  tx"   > 00 00 74 78 22 02 00 00 
{3834640} normal block at 0x000002227A05F240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002227822EDF0, 8 bytes long.
 Data: <&#160;&#169; z"   > A0 A9 05 7A 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000222782308F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022278225F80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000222782359A0, 16 bytes long.
 Data: <&#200;c#x"           > C8 63 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022278235FE0, 16 bytes long.
 Data: <&#160;c#x"           > A0 63 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022278231A30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000022278235950, 16 bytes long.
 Data: <xc#x"           > 78 63 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022278235900, 16 bytes long.
 Data: <Pc#x"           > 50 63 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022278235450, 16 bytes long.
 Data: <(c#x"           > 28 63 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022278235C20, 16 bytes long.
 Data: < c#x"           > 00 63 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022278236820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000022278235810, 16 bytes long.
 Data: <&#216;&#247;!x"           > D8 F7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022278232690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000222782352C0, 16 bytes long.
 Data: <&#176;&#247;!x"           > B0 F7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000222782358B0, 16 bytes long.
 Data: < &#247;!x"           > 88 F7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022278235EA0, 16 bytes long.
 Data: <`&#247;!x"           > 60 F7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022278235270, 16 bytes long.
 Data: <8&#247;!x"           > 38 F7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000222782351D0, 16 bytes long.
 Data: < &#247;!x"           > 10 F7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022278235F90, 16 bytes long.
 Data: <&#232;&#246;!x"           > E8 F6 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000222782319D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000022278235220, 16 bytes long.
 Data: <&#192;&#246;!x"           > C0 F6 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002227821F6C0, 320 bytes long.
 Data: < R#x"   &#208; #x"   > 20 52 23 78 22 02 00 00 D0 19 23 78 22 02 00 00 
{268} normal block at 0x0000022278235B30, 16 bytes long.
 Data: <&#224;b#x"           > E0 62 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022278235860, 16 bytes long.
 Data: <&#184;b#x"           > B8 62 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022278232270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000022278235310, 16 bytes long.
 Data: < b#x"           > 90 62 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000222782324B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000022278235400, 16 bytes long.
 Data: <&#216;a#x"           > D8 61 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022278235680, 16 bytes long.
 Data: <&#176;a#x"           > B0 61 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000222782353B0, 16 bytes long.
 Data: < a#x"           > 88 61 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022278235AE0, 16 bytes long.
 Data: <`a#x"           > 60 61 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022278235630, 16 bytes long.
 Data: <8a#x"           > 38 61 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022278235EF0, 16 bytes long.
 Data: < a#x"           > 10 61 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022278235F40, 16 bytes long.
 Data: <&#224;&#215;!x"           > E0 D7 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002227821D7E0, 40 bytes long.
 Data: <@_#x"   &#224;` z"   > 40 5F 23 78 22 02 00 00 E0 60 04 7A 22 02 00 00 
{254} normal block at 0x00000222782355E0, 16 bytes long.
 Data: <&#240;`#x"           > F0 60 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022278235E50, 16 bytes long.
 Data: <&#200;`#x"           > C8 60 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000022278231FD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000022278235B80, 16 bytes long.
 Data: <&#160;`#x"           > A0 60 23 78 22 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000222782360A0, 992 bytes long.
 Data: < [#x"   &#208; #x"   > 80 5B 23 78 22 02 00 00 D0 1F 23 78 22 02 00 00 
{86} normal block at 0x0000022278232450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002227822F930, 16 bytes long.
 Data: <&#240;&#203;!x"           > F0 CB 21 78 22 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002227821CBF0, 40 bytes long.
 Data: <0&#249;"x"   P$#x"   > 30 F9 22 78 22 02 00 00 50 24 23 78 22 02 00 00 
{63} normal block at 0x000002227822F9D0, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002227822F750, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002227822F2F0, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002227822F0C0, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002227822F980, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002227822F8E0, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002227822FAC0, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002227822FC00, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002227822FA20, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002227822F070, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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