Task 38681677

Name test_746-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3981_1
Workunit 31623097
Created 27 Oct 2026, 4:54:27 UTC
Sent 27 Oct 2026, 4:54:34 UTC
Report deadline 1 Nov 2026, 4:54:34 UTC
Received 27 Oct 2026, 5:25:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 30 min 20 sec
CPU time 27 min 28 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 709.00 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>
23:55:56 (1988): wrapper (7.9.26016): starting
23:55:56 (1988): 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
23:55:58 (1988): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:55:58 (1988): 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
00:25:08 (1988): C:/Windows/system32/cmd.exe exited; CPU time 1648.437500
00:25:08 (1988): 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: 31400569 bytes.
Dumping objects ->
{3835239} normal block at 0x000001FB2F081950, 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 0x000001FB2F0819C0, 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 0x000001FB2F081AA0, 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 0x000001FB2F081B80, 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 0x000001FB2F081CD0, 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 0x000001FB30C0AB80, 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 0x000001FB2F06F450, 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 0x000001FB2F07CFF0, 8 bytes long.
 Data: <  &#147;0&#251;   > 00 00 93 30 FB 01 00 00 
{3834551} normal block at 0x000001FB2F06ECD0, 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 0x000001FB2F07CAA0, 8 bytes long.
 Data: <@0&#210;0&#251;   > 40 30 D2 30 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FB2F06EA50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FB2F06A1F0, 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 0x000001FB2F082470, 16 bytes long.
 Data: < 6 /&#251;           > 18 36 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FB2F082CE0, 16 bytes long.
 Data: <&#240;5 /&#251;           > F0 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FB2F07D440, 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 0x000001FB2F082920, 16 bytes long.
 Data: <&#200;5 /&#251;           > C8 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB2F082420, 16 bytes long.
 Data: <&#160;5 /&#251;           > A0 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB2F0828D0, 16 bytes long.
 Data: <x5 /&#251;           > 78 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB2F082F60, 16 bytes long.
 Data: <P5 /&#251;           > 50 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB2F081B10, 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 0x000001FB2F0823D0, 16 bytes long.
 Data: <&#248;&#215; /&#251;           > F8 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FB2F07DE60, 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 0x000001FB2F082880, 16 bytes long.
 Data: <&#208;&#215; /&#251;           > D0 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB2F082AB0, 16 bytes long.
 Data: <&#168;&#215; /&#251;           > A8 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB2F082A60, 16 bytes long.
 Data: < &#215; /&#251;           > 80 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FB2F082BF0, 16 bytes long.
 Data: <X&#215; /&#251;           > 58 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB2F082D80, 16 bytes long.
 Data: <0&#215; /&#251;           > 30 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FB2F082EC0, 16 bytes long.
 Data: < &#215; /&#251;           > 08 D7 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB2F07D620, 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 0x000001FB2F0830F0, 16 bytes long.
 Data: <&#224;&#214; /&#251;           > E0 D6 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB2F06D6E0, 320 bytes long.
 Data: <&#240;0 /&#251;    &#214; /&#251;   > F0 30 08 2F FB 01 00 00 20 D6 07 2F FB 01 00 00 
{269} normal block at 0x000001FB2F082830, 16 bytes long.
 Data: <05 /&#251;           > 30 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FB2F082510, 16 bytes long.
 Data: < 5 /&#251;           > 08 35 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FB2F07DA40, 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 0x000001FB2F082330, 16 bytes long.
 Data: <&#224;4 /&#251;           > E0 34 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB2F07DE00, 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 0x000001FB2F0824C0, 16 bytes long.
 Data: <(4 /&#251;           > 28 34 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB2F083280, 16 bytes long.
 Data: < 4 /&#251;           > 00 34 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB2F0827E0, 16 bytes long.
 Data: <&#216;3 /&#251;           > D8 33 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB2F082E20, 16 bytes long.
 Data: <&#176;3 /&#251;           > B0 33 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB2F082740, 16 bytes long.
 Data: < 3 /&#251;           > 88 33 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FB2F0830A0, 16 bytes long.
 Data: <`3 /&#251;           > 60 33 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FB2F082A10, 16 bytes long.
 Data: <   /&#251;           > 90 17 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FB2F081790, 40 bytes long.
 Data: < * /&#251;    &#171;&#192;0&#251;   > 10 2A 08 2F FB 01 00 00 80 AB C0 30 FB 01 00 00 
{255} normal block at 0x000001FB2F082380, 16 bytes long.
 Data: <@3 /&#251;           > 40 33 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FB2F083230, 16 bytes long.
 Data: < 3 /&#251;           > 18 33 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FB2F07D9E0, 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 0x000001FB2F083190, 16 bytes long.
 Data: <&#240;2 /&#251;           > F0 32 08 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FB2F0832F0, 992 bytes long.
 Data: < 1 /&#251;   &#224;&#217; /&#251;   > 90 31 08 2F FB 01 00 00 E0 D9 07 2F FB 01 00 00 
{87} normal block at 0x000001FB2F07D920, 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 0x000001FB2F07CEB0, 16 bytes long.
 Data: <&#160;&#174; /&#251;           > A0 AE 06 2F FB 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001FB2F06AEA0, 40 bytes long.
 Data: <&#176;&#206; /&#251;    &#217; /&#251;   > B0 CE 07 2F FB 01 00 00 20 D9 07 2F FB 01 00 00 
{64} normal block at 0x000001FB2F07D2C0, 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 0x000001FB2F07D1D0, 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 0x000001FB2F07D040, 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 0x000001FB2F07CD20, 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 0x000001FB2F07C820, 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 0x000001FB2F07C410, 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 0x000001FB2F07C3C0, 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 0x000001FB2F07C640, 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 0x000001FB2F07C9B0, 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 0x000001FB2F07D180, 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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