Task 38676706

Name test_12-GPUGRID_TEST_ATM_1000_20261023-0-1-RND9677_1
Workunit 31590849
Created 26 Oct 2026, 12:06:16 UTC
Sent 26 Oct 2026, 12:06:22 UTC
Report deadline 31 Oct 2026, 12:06:22 UTC
Received 26 Oct 2026, 14:25:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 40 min 55 sec
CPU time 32 min 59 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.81 MB
Peak swap size 1.57 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:45:21 (3812): wrapper (7.9.26016): starting
15:45:21 (3812): 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
15:45:24 (3812): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:45:24 (3812): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
16:23:34 (3812): C:/Windows/system32/cmd.exe exited; CPU time 1979.906250
16:23:34 (3812): 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: 24919897 bytes.
Dumping objects ->
{3835229} normal block at 0x0000020E283217C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000020E28321A60, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000020E28322160, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x0000020E28321FA0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000020E283221D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x0000020E2827BC00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x0000020E26844F60, 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) : {3835140} normal block at 0x0000020E268158E0, 8 bytes long.
 Data: <   &    > 00 00 7F 26 0E 02 00 00 
{3834539} normal block at 0x0000020E26844CC0, 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 0x0000020E26815610, 8 bytes long.
 Data: < &#242; &    > 10 F2 81 26 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020E2681F710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020E2680A0D0, 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 0x0000020E26820010, 16 bytes long.
 Data: <&#216;$&#130;&            > D8 24 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020E2681FE80, 16 bytes long.
 Data: <&#176;$&#130;&            > B0 24 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020E2681B8A0, 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 0x0000020E2681FE30, 16 bytes long.
 Data: < $&#130;&            > 88 24 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E26820880, 16 bytes long.
 Data: <`$&#130;&            > 60 24 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E2681FFC0, 16 bytes long.
 Data: <8$&#130;&            > 38 24 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020E26820830, 16 bytes long.
 Data: < $&#130;&            > 10 24 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E2681A4E0, 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 0x0000020E268207E0, 16 bytes long.
 Data: <8Z &            > 38 5A 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E2681BF00, 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 0x0000020E26820970, 16 bytes long.
 Data: < Z &            > 10 5A 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E26820D30, 16 bytes long.
 Data: <&#232;Y &            > E8 59 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020E26820560, 16 bytes long.
 Data: <&#192;Y &            > C0 59 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020E268206A0, 16 bytes long.
 Data: < Y &            > 98 59 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E26820150, 16 bytes long.
 Data: <pY &            > 70 59 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E268201A0, 16 bytes long.
 Data: <HY &            > 48 59 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E2681C260, 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 0x0000020E26820C40, 16 bytes long.
 Data: < Y &            > 20 59 80 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E26805920, 320 bytes long.
 Data: <@ &#130;&    `&#194; &    > 40 0C 82 26 0E 02 00 00 60 C2 81 26 0E 02 00 00 
{268} normal block at 0x0000020E26820790, 16 bytes long.
 Data: <&#240;#&#130;&            > F0 23 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E26820380, 16 bytes long.
 Data: <&#200;#&#130;&            > C8 23 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020E2681B660, 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 0x0000020E26820AB0, 16 bytes long.
 Data: <&#160;#&#130;&            > A0 23 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E2681C020, 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 0x0000020E26820100, 16 bytes long.
 Data: <&#232;"&#130;&            > E8 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E26820BF0, 16 bytes long.
 Data: <&#192;"&#130;&            > C0 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020E26820CE0, 16 bytes long.
 Data: < "&#130;&            > 98 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020E268205B0, 16 bytes long.
 Data: <p"&#130;&            > 70 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E26820740, 16 bytes long.
 Data: <H"&#130;&            > 48 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020E26820330, 16 bytes long.
 Data: < "&#130;&            > 20 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020E26820510, 16 bytes long.
 Data: < &#164; &            > 00 A4 81 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020E2681A400, 40 bytes long.
 Data: <  &#130;&     &#188;'(    > 10 05 82 26 0E 02 00 00 00 BC 27 28 0E 02 00 00 
{254} normal block at 0x0000020E26820A60, 16 bytes long.
 Data: < "&#130;&            > 00 22 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020E268208D0, 16 bytes long.
 Data: <&#216;!&#130;&            > D8 21 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020E2681BFC0, 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 0x0000020E26820BA0, 16 bytes long.
 Data: <&#176;!&#130;&            > B0 21 82 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020E268221B0, 992 bytes long.
 Data: <&#160; &#130;&    &#192;&#191; &    > A0 0B 82 26 0E 02 00 00 C0 BF 81 26 0E 02 00 00 
{86} normal block at 0x0000020E2681B540, 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 0x0000020E26815F20, 16 bytes long.
 Data: <&#176;&#162; &            > B0 A2 81 26 0E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020E2681A2B0, 40 bytes long.
 Data: < _ &    @&#181; &    > 20 5F 81 26 0E 02 00 00 40 B5 81 26 0E 02 00 00 
{63} normal block at 0x0000020E26815ED0, 16 bytes long.
 Data: < &#234;&#137;&#239;&#247;           > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020E268156B0, 16 bytes long.
 Data: <@&#233;&#137;&#239;&#247;           > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020E26816060, 16 bytes long.
 Data: <&#248;W&#134;&#239;&#247;           > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020E26815570, 16 bytes long.
 Data: <&#216;W&#134;&#239;&#247;           > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020E26815430, 16 bytes long.
 Data: <P &#134;&#239;&#247;           > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020E26816290, 16 bytes long.
 Data: <0 &#134;&#239;&#247;           > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020E26815B60, 16 bytes long.
 Data: <&#224; &#134;&#239;&#247;           > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020E268154D0, 16 bytes long.
 Data: <  &#134;&#239;&#247;           > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020E26815890, 16 bytes long.
 Data: <p &#134;&#239;&#247;           > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020E26815480, 16 bytes long.
 Data: < &#192;&#132;&#239;&#247;           > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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