Task 38676848

Name test_502-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND4577_1
Workunit 31613169
Created 26 Oct 2026, 12:31:36 UTC
Sent 26 Oct 2026, 12:31:41 UTC
Report deadline 31 Oct 2026, 12:31:41 UTC
Received 26 Oct 2026, 13:34:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 1 min 53 sec
CPU time 57 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.86 MB
Peak swap size 2.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:33:55 (29504): wrapper (7.9.26016): starting
14:33:55 (29504): 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
14:33:57 (29504): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:33:57 (29504): 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\7\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\7\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
15:33:43 (29504): C:/Windows/system32/cmd.exe exited; CPU time 3425.046875
15:33:43 (29504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 57586789 bytes.
Dumping objects ->
{3835257} normal block at 0x0000021E54270E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000021E54270B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000021E54271480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000021E54270CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000021E54270A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000021E54365AB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835169} normal block at 0x0000021E528F6A00, 8 bytes long.
 Data: <  &#138;R    > 00 00 8A 52 1E 02 00 00 
{3833951} normal block at 0x0000021E528F7220, 8 bytes long.
 Data: <p&#186;&#142;R    > 70 BA 8E 52 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000021E52901B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E528E6740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000021E52903610, 16 bytes long.
 Data: <hA R            > 68 41 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E52903570, 16 bytes long.
 Data: <@A R            > 40 41 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E528FC070, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000021E52902BC0, 16 bytes long.
 Data: < A R            > 18 41 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E52902B20, 16 bytes long.
 Data: <&#240;@ R            > F0 40 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E52903480, 16 bytes long.
 Data: <&#200;@ R            > C8 40 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E529032F0, 16 bytes long.
 Data: <&#160;@ R            > A0 40 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E528FDCE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000021E52902AD0, 16 bytes long.
 Data: <h&#210; R            > 68 D2 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E528FC6D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000021E529035C0, 16 bytes long.
 Data: <@&#210; R            > 40 D2 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E52902D50, 16 bytes long.
 Data: < &#210; R            > 18 D2 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E52902A80, 16 bytes long.
 Data: <&#240;&#209; R            > F0 D1 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E52902F30, 16 bytes long.
 Data: <&#200;&#209; R            > C8 D1 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E52902EE0, 16 bytes long.
 Data: <&#160;&#209; R            > A0 D1 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E529039D0, 16 bytes long.
 Data: <x&#209; R            > 78 D1 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E528FBA70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000021E52903520, 16 bytes long.
 Data: <P&#209; R            > 50 D1 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E528FD150, 320 bytes long.
 Data: < 5 R    p&#186; R    > 20 35 90 52 1E 02 00 00 70 BA 8F 52 1E 02 00 00 
{271} normal block at 0x0000021E52903980, 16 bytes long.
 Data: < @ R            > 80 40 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E52902C10, 16 bytes long.
 Data: <X@ R            > 58 40 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E528FC010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000021E529032A0, 16 bytes long.
 Data: <0@ R            > 30 40 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E528FBFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000021E52903430, 16 bytes long.
 Data: <x? R            > 78 3F 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E52902DA0, 16 bytes long.
 Data: <P? R            > 50 3F 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E529036B0, 16 bytes long.
 Data: <(? R            > 28 3F 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E52902B70, 16 bytes long.
 Data: < ? R            > 00 3F 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E529034D0, 16 bytes long.
 Data: <&#216;> R            > D8 3E 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E529038E0, 16 bytes long.
 Data: <&#176;> R            > B0 3E 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E52903750, 16 bytes long.
 Data: <0&#222; R            > 30 DE 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021E528FDE30, 40 bytes long.
 Data: <P7 R    &#176;Z6T    > 50 37 90 52 1E 02 00 00 B0 5A 36 54 1E 02 00 00 
{257} normal block at 0x0000021E52903250, 16 bytes long.
 Data: < > R            > 90 3E 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021E52903020, 16 bytes long.
 Data: <h> R            > 68 3E 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021E528FC490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000021E52903200, 16 bytes long.
 Data: <@> R            > 40 3E 90 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021E52903E40, 992 bytes long.
 Data: < 2 R     &#196; R    > 00 32 90 52 1E 02 00 00 90 C4 8F 52 1E 02 00 00 
{89} normal block at 0x0000021E528FC610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000021E528F7590, 16 bytes long.
 Data: <p&#220; R            > 70 DC 8F 52 1E 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000021E528FDC70, 40 bytes long.
 Data: < u R     &#198; R    > 90 75 8F 52 1E 02 00 00 10 C6 8F 52 1E 02 00 00 
{66} normal block at 0x0000021E528F6F50, 16 bytes long.
 Data: < &#234;&#189;^&#247;           > 80 EA BD 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E528F74F0, 16 bytes long.
 Data: <@&#233;&#189;^&#247;           > 40 E9 BD 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E528F6B90, 16 bytes long.
 Data: <&#248;W&#186;^&#247;           > F8 57 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021E528F6C80, 16 bytes long.
 Data: <&#216;W&#186;^&#247;           > D8 57 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021E528F7900, 16 bytes long.
 Data: <P &#186;^&#247;           > 50 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021E528F77C0, 16 bytes long.
 Data: <0 &#186;^&#247;           > 30 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021E528F7630, 16 bytes long.
 Data: <&#224; &#186;^&#247;           > E0 02 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021E528F7860, 16 bytes long.
 Data: <  &#186;^&#247;           > 10 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021E528F6EB0, 16 bytes long.
 Data: <p &#186;^&#247;           > 70 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021E528F6DC0, 16 bytes long.
 Data: < &#192;&#184;^&#247;           > 18 C0 B8 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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