Task 38698298

Name test_840-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8755_0
Workunit 31638823
Created 2 Nov 2026, 8:35:40 UTC
Sent 2 Nov 2026, 8:35:42 UTC
Report deadline 7 Nov 2026, 8:35:42 UTC
Received 2 Nov 2026, 9:16:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647447
Run time 37 min 43 sec
CPU time 37 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.51 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:37:06 (34248): wrapper (7.9.26016): starting
03:37:06 (34248): 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
03:37:07 (34248): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:37:07 (34248): 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\10\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\10\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
04:15:39 (34248): C:/Windows/system32/cmd.exe exited; CPU time 2221.875000
04:15:39 (34248): 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: 41408523 bytes.
Dumping objects ->
{3835213} normal block at 0x00000176D28580E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x00000176D2857EB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000176D2857890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835180} normal block at 0x00000176D2857820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000176D28579E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835138} normal block at 0x00000176D43C4BA0, 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) : {3835125} normal block at 0x00000176D2828030, 8 bytes long.
 Data: <   &#212;v   > 00 00 14 D4 76 01 00 00 
{3833955} normal block at 0x00000176D2827FE0, 8 bytes long.
 Data: < 3B&#212;v   > 10 33 42 D4 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000176D2831BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000176D28163C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000176D2832FA0, 16 bytes long.
 Data: < @&#131;&#210;v           > 98 40 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000176D2833810, 16 bytes long.
 Data: <p@&#131;&#210;v           > 70 40 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000176D282CF60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000176D2833270, 16 bytes long.
 Data: <H@&#131;&#210;v           > 48 40 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000176D2832E60, 16 bytes long.
 Data: < @&#131;&#210;v           > 20 40 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000176D2832C30, 16 bytes long.
 Data: <&#248;?&#131;&#210;v           > F8 3F 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000176D2833770, 16 bytes long.
 Data: <&#208;?&#131;&#210;v           > D0 3F 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000176D282EF30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000176D2833180, 16 bytes long.
 Data: <Xc &#210;v           > 58 63 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000176D282CE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000176D2832E10, 16 bytes long.
 Data: <0c &#210;v           > 30 63 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000176D2832CD0, 16 bytes long.
 Data: < c &#210;v           > 08 63 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000176D2832EB0, 16 bytes long.
 Data: <&#224;b &#210;v           > E0 62 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000176D2832AF0, 16 bytes long.
 Data: <&#184;b &#210;v           > B8 62 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000176D2832A00, 16 bytes long.
 Data: < b &#210;v           > 90 62 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000176D2833450, 16 bytes long.
 Data: <hb &#210;v           > 68 62 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000176D282D4A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000176D2833590, 16 bytes long.
 Data: <@b &#210;v           > 40 62 81 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000176D2816240, 320 bytes long.
 Data: < 5&#131;&#210;v   &#160;&#212;&#130;&#210;v   > 90 35 83 D2 76 01 00 00 A0 D4 82 D2 76 01 00 00 
{273} normal block at 0x00000176D2832F00, 16 bytes long.
 Data: <&#176;?&#131;&#210;v           > B0 3F 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000176D28329B0, 16 bytes long.
 Data: < ?&#131;&#210;v           > 88 3F 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000176D282D440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000176D28338B0, 16 bytes long.
 Data: <`?&#131;&#210;v           > 60 3F 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000176D282CDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000176D2832B90, 16 bytes long.
 Data: <&#168;>&#131;&#210;v           > A8 3E 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000176D2833310, 16 bytes long.
 Data: < >&#131;&#210;v           > 80 3E 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000176D2832D20, 16 bytes long.
 Data: <X>&#131;&#210;v           > 58 3E 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000176D2833400, 16 bytes long.
 Data: <0>&#131;&#210;v           > 30 3E 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000176D28333B0, 16 bytes long.
 Data: < >&#131;&#210;v           > 08 3E 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000176D28330E0, 16 bytes long.
 Data: <&#224;=&#131;&#210;v           > E0 3D 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000176D2832FF0, 16 bytes long.
 Data: <&#176;&#235;&#130;&#210;v           > B0 EB 82 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000176D282EBB0, 40 bytes long.
 Data: <&#240;/&#131;&#210;v   &#160;K<&#212;v   > F0 2F 83 D2 76 01 00 00 A0 4B 3C D4 76 01 00 00 
{259} normal block at 0x00000176D2833360, 16 bytes long.
 Data: <&#192;=&#131;&#210;v           > C0 3D 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000176D2833540, 16 bytes long.
 Data: < =&#131;&#210;v           > 98 3D 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000176D282CA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000176D2833040, 16 bytes long.
 Data: <p=&#131;&#210;v           > 70 3D 83 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000176D2833D70, 992 bytes long.
 Data: <@0&#131;&#210;v    &#202;&#130;&#210;v   > 40 30 83 D2 76 01 00 00 20 CA 82 D2 76 01 00 00 
{91} normal block at 0x00000176D282CCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000176D2828580, 16 bytes long.
 Data: <@&#235;&#130;&#210;v           > 40 EB 82 D2 76 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000176D282EB40, 40 bytes long.
 Data: < &#133;&#130;&#210;v   &#192;&#204;&#130;&#210;v   > 80 85 82 D2 76 01 00 00 C0 CC 82 D2 76 01 00 00 
{68} normal block at 0x00000176D2827E50, 16 bytes long.
 Data: < &#234;}&#167;&#247;           > 80 EA 7D A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000176D2827C70, 16 bytes long.
 Data: <@&#233;}&#167;&#247;           > 40 E9 7D A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000176D2828940, 16 bytes long.
 Data: <&#248;Wz&#167;&#247;           > F8 57 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000176D28284E0, 16 bytes long.
 Data: <&#216;Wz&#167;&#247;           > D8 57 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000176D2828260, 16 bytes long.
 Data: <P z&#167;&#247;           > 50 04 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000176D2827EF0, 16 bytes long.
 Data: <0 z&#167;&#247;           > 30 04 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000176D2828490, 16 bytes long.
 Data: <&#224; z&#167;&#247;           > E0 02 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000176D28281C0, 16 bytes long.
 Data: <  z&#167;&#247;           > 10 04 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000176D2827E00, 16 bytes long.
 Data: <p z&#167;&#247;           > 70 04 7A A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000176D2827EA0, 16 bytes long.
 Data: < &#192;x&#167;&#247;           > 18 C0 78 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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