Task 38676625

Name test_807-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1036_0
Workunit 31618528
Created 26 Oct 2026, 11:52:37 UTC
Sent 26 Oct 2026, 11:52:39 UTC
Report deadline 31 Oct 2026, 11:52:39 UTC
Received 26 Oct 2026, 13:47:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654844
Run time 42 min 12 sec
CPU time 38 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.87 MB
Peak swap size 2.39 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:04:51 (2688): wrapper (7.9.26016): starting
15:04:51 (2688): 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
15:04:53 (2688): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:53 (2688): 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 'G:\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 'G:\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
15:45:21 (2688): C:/Windows/system32/cmd.exe exited; CPU time 2304.546875
15:45:21 (2688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 28394485 bytes.
Dumping objects ->
{3835451} normal block at 0x0000020F346A5B80, 48 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000020F346A5C60, 48 bytes long.
 Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000020F346A5F00, 48 bytes long.
 Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000020F346A5790, 48 bytes long.
 Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000020F346A5720, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x0000020F36274750, 64 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x0000020F346A7220, 160 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 0x0000020F34676630, 8 bytes long.
 Data: <   6    > 00 00 0D 36 0F 02 00 00 
{3834641} normal block at 0x0000020F346A6B20, 160 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 0x0000020F34676680, 8 bytes long.
 Data: <  06    > 90 15 30 36 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020F3467FC00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F3466B110, 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 0x0000020F34681320, 16 bytes long.
 Data: <H2h4            > 48 32 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020F34680E20, 16 bytes long.
 Data: < 2h4            > 20 32 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F3467C970, 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 0x0000020F34680EC0, 16 bytes long.
 Data: <&#248;1h4            > F8 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F34680D30, 16 bytes long.
 Data: <&#208;1h4            > D0 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F346811E0, 16 bytes long.
 Data: <&#168;1h4            > A8 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020F346810A0, 16 bytes long.
 Data: < 1h4            > 80 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F3467B080, 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 0x0000020F34680C90, 16 bytes long.
 Data: <&#184;&#173;f4            > B8 AD 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F3467C250, 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 0x0000020F34681550, 16 bytes long.
 Data: < &#173;f4            > 90 AD 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F34681410, 16 bytes long.
 Data: <h&#173;f4            > 68 AD 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020F34681050, 16 bytes long.
 Data: <@&#173;f4            > 40 AD 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F34680F10, 16 bytes long.
 Data: < &#173;f4            > 18 AD 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F346813C0, 16 bytes long.
 Data: <&#240;&#172;f4            > F0 AC 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020F34680C40, 16 bytes long.
 Data: <&#200;&#172;f4            > C8 AC 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F3467C7F0, 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 0x0000020F34681000, 16 bytes long.
 Data: <&#160;&#172;f4            > A0 AC 66 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F3466ACA0, 320 bytes long.
 Data: <  h4    &#240;&#199;g4    > 00 10 68 34 0F 02 00 00 F0 C7 67 34 0F 02 00 00 
{268} normal block at 0x0000020F346812D0, 16 bytes long.
 Data: <`1h4            > 60 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F34680E70, 16 bytes long.
 Data: <81h4            > 38 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F3467C790, 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 0x0000020F34680FB0, 16 bytes long.
 Data: < 1h4            > 10 31 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F3467C6D0, 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 0x0000020F34680BA0, 16 bytes long.
 Data: <X0h4            > 58 30 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F346810F0, 16 bytes long.
 Data: <00h4            > 30 30 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F34681AA0, 16 bytes long.
 Data: < 0h4            > 08 30 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F34681A50, 16 bytes long.
 Data: <&#224;/h4            > E0 2F 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F346815A0, 16 bytes long.
 Data: <&#184;/h4            > B8 2F 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F34680DD0, 16 bytes long.
 Data: < /h4            > 90 2F 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020F34681A00, 16 bytes long.
 Data: <&#160;&#175;g4            > A0 AF 67 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020F3467AFA0, 40 bytes long.
 Data: <  h4    PG'6    > 00 1A 68 34 0F 02 00 00 50 47 27 36 0F 02 00 00 
{254} normal block at 0x0000020F34681960, 16 bytes long.
 Data: <p/h4            > 70 2F 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020F34680F60, 16 bytes long.
 Data: <H/h4            > 48 2F 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020F3467C8B0, 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 0x0000020F34681280, 16 bytes long.
 Data: < /h4            > 20 2F 68 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020F34682F20, 992 bytes long.
 Data: <  h4    &#176;&#200;g4    > 80 12 68 34 0F 02 00 00 B0 C8 67 34 0F 02 00 00 
{86} normal block at 0x0000020F3467C0D0, 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 0x0000020F34676EA0, 16 bytes long.
 Data: < &#176;g4            > 10 B0 67 34 0F 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020F3467B010, 40 bytes long.
 Data: <&#160;ng4    &#208;&#192;g4    > A0 6E 67 34 0F 02 00 00 D0 C0 67 34 0F 02 00 00 
{63} normal block at 0x0000020F34676F90, 16 bytes long.
 Data: < &#234;"&#209;&#246;           > 80 EA 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F346769A0, 16 bytes long.
 Data: <@&#233;"&#209;&#246;           > 40 E9 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F34676B30, 16 bytes long.
 Data: <&#248;W &#209;&#246;           > F8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020F34676AE0, 16 bytes long.
 Data: <&#216;W &#209;&#246;           > D8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F34676EF0, 16 bytes long.
 Data: <P  &#209;&#246;           > 50 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020F34676FE0, 16 bytes long.
 Data: <0  &#209;&#246;           > 30 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020F34676810, 16 bytes long.
 Data: <&#224;  &#209;&#246;           > E0 02 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020F346764A0, 16 bytes long.
 Data: <   &#209;&#246;           > 10 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020F34676950, 16 bytes long.
 Data: <p  &#209;&#246;           > 70 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020F34676310, 16 bytes long.
 Data: < &#192; &#209;&#246;           > 18 C0 1D D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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