Task 38681987

Name test_436-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2298_0
Workunit 31623626
Created 27 Oct 2026, 6:07:09 UTC
Sent 27 Oct 2026, 6:07:15 UTC
Report deadline 1 Nov 2026, 6:07:15 UTC
Received 27 Oct 2026, 6:37:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 29 min 37 sec
CPU time 26 min 49 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 704.82 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:08:46 (1920): wrapper (7.9.26016): starting
01:08:46 (1920): 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
01:08:48 (1920): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:08:48 (1920): 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\20\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\20\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
01:37:17 (1920): C:/Windows/system32/cmd.exe exited; CPU time 1609.984375
01:37:17 (1920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 30793635 bytes.
Dumping objects ->
{3835239} normal block at 0x000002C46EC91AA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002C46EC91DB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000002C46EC91790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000002C46EC91D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000002C46EC91A30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000002C47092B600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000002C46EC7EE10, 255 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) : {3835150} normal block at 0x000002C46EC8CD20, 8 bytes long.
 Data: <  ep&#196;   > 00 00 65 70 C4 02 00 00 
{3834551} normal block at 0x000002C46EC7EB90, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000002C46EC8CCD0, 8 bytes long.
 Data: <@0&#164;p&#196;   > 40 30 A4 70 C4 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002C46EC7ECD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C46EC7A1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000002C46EC93000, 16 bytes long.
 Data: < 6&#201;n&#196;           > 18 36 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C46EC93230, 16 bytes long.
 Data: <&#240;5&#201;n&#196;           > F0 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C46EC8DAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000002C46EC92EC0, 16 bytes long.
 Data: <&#200;5&#201;n&#196;           > C8 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C46EC92D30, 16 bytes long.
 Data: <&#160;5&#201;n&#196;           > A0 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C46EC923D0, 16 bytes long.
 Data: <x5&#201;n&#196;           > 78 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C46EC924C0, 16 bytes long.
 Data: <P5&#201;n&#196;           > 50 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C46EC91950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000002C46EC92380, 16 bytes long.
 Data: <&#248;&#215;&#199;n&#196;           > F8 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C46EC8D620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000002C46EC929C0, 16 bytes long.
 Data: <&#208;&#215;&#199;n&#196;           > D0 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C46EC92420, 16 bytes long.
 Data: <&#168;&#215;&#199;n&#196;           > A8 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C46EC926F0, 16 bytes long.
 Data: < &#215;&#199;n&#196;           > 80 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C46EC92E70, 16 bytes long.
 Data: <X&#215;&#199;n&#196;           > 58 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C46EC92CE0, 16 bytes long.
 Data: <0&#215;&#199;n&#196;           > 30 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C46EC92DD0, 16 bytes long.
 Data: < &#215;&#199;n&#196;           > 08 D7 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C46EC8DDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000002C46EC930A0, 16 bytes long.
 Data: <&#224;&#214;&#199;n&#196;           > E0 D6 C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C46EC7D6E0, 320 bytes long.
 Data: <&#160;0&#201;n&#196;   &#160;&#221;&#200;n&#196;   > A0 30 C9 6E C4 02 00 00 A0 DD C8 6E C4 02 00 00 
{269} normal block at 0x000002C46EC92510, 16 bytes long.
 Data: <05&#201;n&#196;           > 30 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C46EC92C40, 16 bytes long.
 Data: < 5&#201;n&#196;           > 08 35 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C46EC8D740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000002C46EC927E0, 16 bytes long.
 Data: <&#224;4&#201;n&#196;           > E0 34 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C46EC8DF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000002C46EC92AB0, 16 bytes long.
 Data: <(4&#201;n&#196;           > 28 34 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C46EC92330, 16 bytes long.
 Data: < 4&#201;n&#196;           > 00 34 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C46EC93050, 16 bytes long.
 Data: <&#216;3&#201;n&#196;           > D8 33 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C46EC92FB0, 16 bytes long.
 Data: <&#176;3&#201;n&#196;           > B0 33 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C46EC92470, 16 bytes long.
 Data: < 3&#201;n&#196;           > 88 33 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C46EC92C90, 16 bytes long.
 Data: <`3&#201;n&#196;           > 60 33 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C46EC92BF0, 16 bytes long.
 Data: <p &#201;n&#196;           > 70 18 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C46EC91870, 40 bytes long.
 Data: <&#240;+&#201;n&#196;    &#182;&#146;p&#196;   > F0 2B C9 6E C4 02 00 00 00 B6 92 70 C4 02 00 00 
{255} normal block at 0x000002C46EC925B0, 16 bytes long.
 Data: <@3&#201;n&#196;           > 40 33 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002C46EC92B50, 16 bytes long.
 Data: < 3&#201;n&#196;           > 18 33 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002C46EC8E220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002C46EC92F60, 16 bytes long.
 Data: <&#240;2&#201;n&#196;           > F0 32 C9 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002C46EC932F0, 992 bytes long.
 Data: <`/&#201;n&#196;    &#226;&#200;n&#196;   > 60 2F C9 6E C4 02 00 00 20 E2 C8 6E C4 02 00 00 
{87} normal block at 0x000002C46EC8E160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002C46EC8C5F0, 16 bytes long.
 Data: <&#160;&#174;&#199;n&#196;           > A0 AE C7 6E C4 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002C46EC7AEA0, 40 bytes long.
 Data: <&#240;&#197;&#200;n&#196;   `&#225;&#200;n&#196;   > F0 C5 C8 6E C4 02 00 00 60 E1 C8 6E C4 02 00 00 
{64} normal block at 0x000002C46EC8C550, 16 bytes long.
 Data: < &#234; &#138;&#247;           > 80 EA 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C46EC8CAA0, 16 bytes long.
 Data: <@&#233; &#138;&#247;           > 40 E9 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C46EC8CD70, 16 bytes long.
 Data: <&#248;W~&#138;&#247;           > F8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C46EC8D090, 16 bytes long.
 Data: <&#216;W~&#138;&#247;           > D8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C46EC8C870, 16 bytes long.
 Data: <P ~&#138;&#247;           > 50 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C46EC8C820, 16 bytes long.
 Data: <0 ~&#138;&#247;           > 30 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002C46EC8CF00, 16 bytes long.
 Data: <&#224; ~&#138;&#247;           > E0 02 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002C46EC8CF50, 16 bytes long.
 Data: <  ~&#138;&#247;           > 10 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002C46EC8CEB0, 16 bytes long.
 Data: <p ~&#138;&#247;           > 70 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002C46EC8CFA0, 16 bytes long.
 Data: < &#192;|&#138;&#247;           > 18 C0 7C 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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