Task 38688757

Name test_953-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6838_0
Workunit 31630080
Created 28 Oct 2026, 15:59:53 UTC
Sent 28 Oct 2026, 15:59:55 UTC
Report deadline 2 Nov 2026, 15:59:55 UTC
Received 28 Oct 2026, 17:08:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 54 sec
CPU time 27 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.98 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:38:46 (26804): wrapper (7.9.26016): starting
16:38:46 (26804): 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
16:38:47 (26804): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:38:47 (26804): 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\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 'C:\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
17:07:35 (26804): C:/Windows/system32/cmd.exe exited; CPU time 1640.062500
17:07:35 (26804): 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: 26249461 bytes.
Dumping objects ->
{3835306} normal block at 0x0000020AE7C5C7A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000020AE5FA4800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000020AE5FA4950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x0000020AE5FA4AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000020AE5FA4720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000020AE7CAA8D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000020AE7CBE260, 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) : {3835217} normal block at 0x0000020AE5F9FF70, 8 bytes long.
 Data: <  C&#230;    > 00 00 43 E6 0A 02 00 00 
{3834571} normal block at 0x0000020AE7CBE5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000020AE5FA01F0, 8 bytes long.
 Data: <&#160;I&#197;&#231;    > A0 49 C5 E7 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020AE5FA1110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020AE5F96350, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020AE5FA5F60, 16 bytes long.
 Data: <&#232;c&#250;&#229;            > E8 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020AE5FA5DD0, 16 bytes long.
 Data: <&#192;c&#250;&#229;            > C0 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020AE5F9F0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000020AE5FA5D30, 16 bytes long.
 Data: < c&#250;&#229;            > 98 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020AE5FA5B50, 16 bytes long.
 Data: <pc&#250;&#229;            > 70 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020AE5FA5150, 16 bytes long.
 Data: <Hc&#250;&#229;            > 48 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020AE5FA57E0, 16 bytes long.
 Data: < c&#250;&#229;            > 20 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020AE5FA4B10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020AE5FA5C90, 16 bytes long.
 Data: <  &#249;&#229;            > 08 8F F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020AE5F9F330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020AE5FA59C0, 16 bytes long.
 Data: <&#224;&#142;&#249;&#229;            > E0 8E F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020AE5FA5740, 16 bytes long.
 Data: <&#184;&#142;&#249;&#229;            > B8 8E F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020AE5FA6000, 16 bytes long.
 Data: < &#142;&#249;&#229;            > 90 8E F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020AE5FA5D80, 16 bytes long.
 Data: <h&#142;&#249;&#229;            > 68 8E F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020AE5FA53D0, 16 bytes long.
 Data: <@&#142;&#249;&#229;            > 40 8E F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020AE5FA5B00, 16 bytes long.
 Data: < &#142;&#249;&#229;            > 18 8E F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020AE5F9E850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000020AE5FA5380, 16 bytes long.
 Data: <&#240; &#249;&#229;            > F0 8D F9 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020AE5F98DF0, 320 bytes long.
 Data: < S&#250;&#229;    P&#232;&#249;&#229;    > 80 53 FA E5 0A 02 00 00 50 E8 F9 E5 0A 02 00 00 
{274} normal block at 0x0000020AE5FA5F10, 16 bytes long.
 Data: < c&#250;&#229;            > 00 63 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020AE5FA5100, 16 bytes long.
 Data: <&#216;b&#250;&#229;            > D8 62 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020AE5F9EC10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000020AE5FA56F0, 16 bytes long.
 Data: <&#176;b&#250;&#229;            > B0 62 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020AE5F9F4B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020AE5FA5EC0, 16 bytes long.
 Data: <&#248;a&#250;&#229;            > F8 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020AE5FA5600, 16 bytes long.
 Data: <&#208;a&#250;&#229;            > D0 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020AE5FA5FB0, 16 bytes long.
 Data: <&#168;a&#250;&#229;            > A8 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020AE5FA5C40, 16 bytes long.
 Data: < a&#250;&#229;            > 80 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020AE5FA5CE0, 16 bytes long.
 Data: <Xa&#250;&#229;            > 58 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020AE5FA5510, 16 bytes long.
 Data: <0a&#250;&#229;            > 30 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020AE5FA56A0, 16 bytes long.
 Data: <&#240;D&#250;&#229;            > F0 44 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020AE5FA44F0, 40 bytes long.
 Data: <&#160;V&#250;&#229;    &#208;&#168;&#202;&#231;    > A0 56 FA E5 0A 02 00 00 D0 A8 CA E7 0A 02 00 00 
{260} normal block at 0x0000020AE5FA5A60, 16 bytes long.
 Data: < a&#250;&#229;            > 10 61 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020AE5FA54C0, 16 bytes long.
 Data: <&#232;`&#250;&#229;            > E8 60 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020AE5F9F030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020AE5FA5650, 16 bytes long.
 Data: <&#192;`&#250;&#229;            > C0 60 FA E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020AE5FA60C0, 992 bytes long.
 Data: <PV&#250;&#229;    0&#240;&#249;&#229;    > 50 56 FA E5 0A 02 00 00 30 F0 F9 E5 0A 02 00 00 
{92} normal block at 0x0000020AE5F9E670, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000020AE5F9F6B0, 16 bytes long.
 Data: <`&#228;&#248;&#229;            > 60 E4 F8 E5 0A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020AE5F8E460, 40 bytes long.
 Data: <&#176;&#246;&#249;&#229;    p&#230;&#249;&#229;    > B0 F6 F9 E5 0A 02 00 00 70 E6 F9 E5 0A 02 00 00 
{69} normal block at 0x0000020AE5F9FD40, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020AE5F9FAC0, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020AE5F9F7F0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020AE5FA01A0, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020AE5F9FBB0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020AE5F9F840, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020AE5F9F980, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020AE5F9F930, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020AE5F9F660, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020AE5FA0060, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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