Task 38672996

Name test_836-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7631_0
Workunit 31615103
Created 26 Oct 2026, 1:10:30 UTC
Sent 26 Oct 2026, 1:10:40 UTC
Report deadline 31 Oct 2026, 1:10:40 UTC
Received 26 Oct 2026, 2:15:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 20 min 34 sec
CPU time 19 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.76 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:55:33 (36704): wrapper (7.9.26016): starting
19:55:33 (36704): 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
19:55:34 (36704): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:55:34 (36704): 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\6\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\6\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
20:15:03 (36704): C:/Windows/system32/cmd.exe exited; CPU time 1145.078125
20:15:03 (36704): 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: 29781619 bytes.
Dumping objects ->
{3835217} normal block at 0x00000188BAEF5890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000188BAEF5AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000188BAEF5820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x00000188BAEF57B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000188BAEF5740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x00000188BCBDB710, 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) : {3835129} normal block at 0x00000188BAEEE0C0, 8 bytes long.
 Data: <  /&#187;    > 00 00 2F BB 88 01 00 00 
{3833963} normal block at 0x00000188BAEEE7F0, 8 bytes long.
 Data: <P&#235;&#252;&#186;    > 50 EB FC BA 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000188BAEF1B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000188BAEE6FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000188BAEF71B0, 16 bytes long.
 Data: < u&#239;&#186;            > 98 75 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000188BAEF7110, 16 bytes long.
 Data: <pu&#239;&#186;            > 70 75 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000188BAEF0C70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000188BAEF6990, 16 bytes long.
 Data: <Hu&#239;&#186;            > 48 75 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000188BAEF6490, 16 bytes long.
 Data: < u&#239;&#186;            > 20 75 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000188BAEF6E90, 16 bytes long.
 Data: <&#248;t&#239;&#186;            > F8 74 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000188BAEF62B0, 16 bytes long.
 Data: <&#208;t&#239;&#186;            > D0 74 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000188BAEF55F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000188BAEF6F30, 16 bytes long.
 Data: <&#232;&#187;&#237;&#186;            > E8 BB ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000188BAEF0010, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000188BAEF63A0, 16 bytes long.
 Data: <&#192;&#187;&#237;&#186;            > C0 BB ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000188BAEF70C0, 16 bytes long.
 Data: < &#187;&#237;&#186;            > 98 BB ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000188BAEF6530, 16 bytes long.
 Data: <p&#187;&#237;&#186;            > 70 BB ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000188BAEF7070, 16 bytes long.
 Data: <H&#187;&#237;&#186;            > 48 BB ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000188BAEF6620, 16 bytes long.
 Data: < &#187;&#237;&#186;            > 20 BB ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000188BAEF6E40, 16 bytes long.
 Data: <&#248;&#186;&#237;&#186;            > F8 BA ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000188BAEF0CD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000188BAEF6DA0, 16 bytes long.
 Data: <&#208;&#186;&#237;&#186;            > D0 BA ED BA 88 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000188BAEDBAD0, 320 bytes long.
 Data: <&#160;m&#239;&#186;    &#208; &#239;&#186;    > A0 6D EF BA 88 01 00 00 D0 0C EF BA 88 01 00 00 
{277} normal block at 0x00000188BAEF6A80, 16 bytes long.
 Data: <&#176;t&#239;&#186;            > B0 74 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000188BAEF6580, 16 bytes long.
 Data: < t&#239;&#186;            > 88 74 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000188BAEF0BB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000188BAEF6300, 16 bytes long.
 Data: <`t&#239;&#186;            > 60 74 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000188BAEF0B50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000188BAEF65D0, 16 bytes long.
 Data: <&#168;s&#239;&#186;            > A8 73 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000188BAEF6D00, 16 bytes long.
 Data: < s&#239;&#186;            > 80 73 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000188BAEF7160, 16 bytes long.
 Data: <Xs&#239;&#186;            > 58 73 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000188BAEF6D50, 16 bytes long.
 Data: <0s&#239;&#186;            > 30 73 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000188BAEF6800, 16 bytes long.
 Data: < s&#239;&#186;            > 08 73 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000188BAEF6F80, 16 bytes long.
 Data: <&#224;r&#239;&#186;            > E0 72 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000188BAEF6440, 16 bytes long.
 Data: < Y&#239;&#186;            > 00 59 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000188BAEF5900, 40 bytes long.
 Data: <@d&#239;&#186;     &#183;&#189;&#188;    > 40 64 EF BA 88 01 00 00 10 B7 BD BC 88 01 00 00 
{263} normal block at 0x00000188BAEF6DF0, 16 bytes long.
 Data: <&#192;r&#239;&#186;            > C0 72 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000188BAEF7200, 16 bytes long.
 Data: < r&#239;&#186;            > 98 72 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000188BAEF0A90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000188BAEF6CB0, 16 bytes long.
 Data: <pr&#239;&#186;            > 70 72 EF BA 88 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000188BAEF7270, 992 bytes long.
 Data: <&#176;l&#239;&#186;      &#239;&#186;    > B0 6C EF BA 88 01 00 00 90 0A EF BA 88 01 00 00 
{95} normal block at 0x00000188BAEF04F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000188BAEEE340, 16 bytes long.
 Data: <0&#250;&#238;&#186;            > 30 FA EE BA 88 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000188BAEEFA30, 40 bytes long.
 Data: <@&#227;&#238;&#186;    &#240; &#239;&#186;    > 40 E3 EE BA 88 01 00 00 F0 04 EF BA 88 01 00 00 
{72} normal block at 0x00000188BAEEE2F0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000188BAEEDE90, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000188BAEEE200, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000188BAEEDB20, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000188BAEEDDF0, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000188BAEEDCB0, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000188BAEEDC10, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000188BAEEE070, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000188BAEEDA80, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000188BAEEDA30, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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