Task 38670113

Name test_607-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6274_1
Workunit 31612363
Created 25 Oct 2026, 16:31:40 UTC
Sent 25 Oct 2026, 16:31:58 UTC
Report deadline 30 Oct 2026, 16:31:58 UTC
Received 25 Oct 2026, 18:30:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 38 min 31 sec
CPU time 35 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.80 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:53:45 (25952): wrapper (7.9.26016): starting
13:53:45 (25952): 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
13:53:48 (25952): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:53:49 (25952): 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\21\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\21\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
14:30:23 (25952): C:/Windows/system32/cmd.exe exited; CPU time 2111.593750
14:30:23 (25952): 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: 39891021 bytes.
Dumping objects ->
{3835262} normal block at 0x0000024867EA9F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000024867EAACF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000024867EAA2E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000024866164980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000248661648A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x0000024867E99D70, 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) : {3835174} normal block at 0x000002486615F4F0, 8 bytes long.
 Data: <  &#216;gH   > 00 00 D8 67 48 02 00 00 
{3833959} normal block at 0x000002486615E910, 8 bytes long.
 Data: < H&#239;gH   > 10 48 EF 67 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024866161290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024866156800, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000248661663E0, 16 bytes long.
 Data: < W fH           > 08 57 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024866166390, 16 bytes long.
 Data: <&#224;V fH           > E0 56 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002486615FEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000024866166200, 16 bytes long.
 Data: <&#184;V fH           > B8 56 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024866165A80, 16 bytes long.
 Data: < V fH           > 90 56 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000248661667A0, 16 bytes long.
 Data: <hV fH           > 68 56 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024866166340, 16 bytes long.
 Data: <@V fH           > 40 56 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024866164D00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024866165B70, 16 bytes long.
 Data: <&#232;&#181; fH           > E8 B5 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002486615FD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000024866165E40, 16 bytes long.
 Data: <&#192;&#181; fH           > C0 B5 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024866166160, 16 bytes long.
 Data: < &#181; fH           > 98 B5 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024866165C10, 16 bytes long.
 Data: <p&#181; fH           > 70 B5 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024866165D00, 16 bytes long.
 Data: <H&#181; fH           > 48 B5 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024866166610, 16 bytes long.
 Data: < &#181; fH           > 20 B5 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000248661660C0, 16 bytes long.
 Data: <&#248;&#180; fH           > F8 B4 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002486615FA40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024866165DF0, 16 bytes long.
 Data: <&#208;&#180; fH           > D0 B4 14 66 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002486614B4D0, 320 bytes long.
 Data: <&#240;] fH   @&#250; fH   > F0 5D 16 66 48 02 00 00 40 FA 15 66 48 02 00 00 
{275} normal block at 0x00000248661665C0, 16 bytes long.
 Data: < V fH           > 20 56 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000248661662A0, 16 bytes long.
 Data: <&#248;U fH           > F8 55 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002486615FE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000024866165DA0, 16 bytes long.
 Data: <&#208;U fH           > D0 55 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248661601C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000024866165CB0, 16 bytes long.
 Data: < U fH           > 18 55 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024866165AD0, 16 bytes long.
 Data: <&#240;T fH           > F0 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024866166070, 16 bytes long.
 Data: <&#200;T fH           > C8 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024866165F30, 16 bytes long.
 Data: <&#160;T fH           > A0 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024866165850, 16 bytes long.
 Data: <xT fH           > 78 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002486615F310, 16 bytes long.
 Data: <PT fH           > 50 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002486615F2C0, 16 bytes long.
 Data: <&#240;I fH           > F0 49 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248661649F0, 40 bytes long.
 Data: <&#192;&#242; fH   p &#233;gH   > C0 F2 15 66 48 02 00 00 70 9D E9 67 48 02 00 00 
{261} normal block at 0x000002486615EA50, 16 bytes long.
 Data: <0T fH           > 30 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002486615F270, 16 bytes long.
 Data: < T fH           > 08 54 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024866160460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002486615EC30, 16 bytes long.
 Data: <&#224;S fH           > E0 53 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000248661653E0, 992 bytes long.
 Data: <0&#236; fH   `  fH   > 30 EC 15 66 48 02 00 00 60 04 16 66 48 02 00 00 
{93} normal block at 0x0000024866160400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002486615F1D0, 16 bytes long.
 Data: <@K fH           > 40 4B 16 66 48 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024866164B40, 40 bytes long.
 Data: <&#208;&#241; fH      fH   > D0 F1 15 66 48 02 00 00 00 04 16 66 48 02 00 00 
{70} normal block at 0x000002486615EAF0, 16 bytes long.
 Data: < &#234;&#227; &#246;           > 80 EA E3 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002486615E8C0, 16 bytes long.
 Data: <@&#233;&#227; &#246;           > 40 E9 E3 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002486615F4A0, 16 bytes long.
 Data: <&#248;W&#224; &#246;           > F8 57 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002486615F590, 16 bytes long.
 Data: <&#216;W&#224; &#246;           > D8 57 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002486615E9B0, 16 bytes long.
 Data: <P &#224; &#246;           > 50 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002486615EF00, 16 bytes long.
 Data: <0 &#224; &#246;           > 30 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002486615F680, 16 bytes long.
 Data: <&#224; &#224; &#246;           > E0 02 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002486615E870, 16 bytes long.
 Data: <  &#224; &#246;           > 10 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002486615E960, 16 bytes long.
 Data: <p &#224; &#246;           > 70 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002486615E730, 16 bytes long.
 Data: < &#192;&#222; &#246;           > 18 C0 DE 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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