Task 38667677

Name test_853-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0316_0
Workunit 31610278
Created 25 Oct 2026, 8:57:53 UTC
Sent 25 Oct 2026, 8:57:59 UTC
Report deadline 30 Oct 2026, 8:57:59 UTC
Received 28 Oct 2026, 4:22:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 23 min 49 sec
CPU time 20 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.72 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:59:26 (17492): wrapper (7.9.26016): starting
21:59:26 (17492): 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
21:59:27 (17492): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:59:27 (17492): 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\14\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\14\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
22:22:25 (17492): C:/Windows/system32/cmd.exe exited; CPU time 1207.640625
22:22:25 (17492): 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: 28570115 bytes.
Dumping objects ->
{3835259} normal block at 0x00000289ECA6EFA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000289EACD6BD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000289EACD6A10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x00000289EACD6930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x00000289EACD6AF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x00000289ECABCA50, 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) : {3835171} normal block at 0x00000289EACD1330, 8 bytes long.
 Data: <  '&#235;&#137;   > 00 00 27 EB 89 02 00 00 
{3833961} normal block at 0x00000289EACD0ED0, 8 bytes long.
 Data: <`?&#180;&#236;&#137;   > 60 3F B4 EC 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000289EACD2F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000289EACC84A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000289EACD7560, 16 bytes long.
 Data: < t&#205;&#234;&#137;           > 18 74 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000289EACD83C0, 16 bytes long.
 Data: <&#240;s&#205;&#234;&#137;           > F0 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000289EACD20C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000289EACD7EC0, 16 bytes long.
 Data: <&#200;s&#205;&#234;&#137;           > C8 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000289EACD7650, 16 bytes long.
 Data: <&#160;s&#205;&#234;&#137;           > A0 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000289EACD7600, 16 bytes long.
 Data: <xs&#205;&#234;&#137;           > 78 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000289EACD7AB0, 16 bytes long.
 Data: <Ps&#205;&#234;&#137;           > 50 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000289EACD6CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000289EACD80A0, 16 bytes long.
 Data: <&#168;&#174;&#204;&#234;&#137;           > A8 AE CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000289EACD18E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000289EACD7A60, 16 bytes long.
 Data: < &#174;&#204;&#234;&#137;           > 80 AE CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000289EACD80F0, 16 bytes long.
 Data: <X&#174;&#204;&#234;&#137;           > 58 AE CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000289EACD7DD0, 16 bytes long.
 Data: <0&#174;&#204;&#234;&#137;           > 30 AE CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000289EACD7BF0, 16 bytes long.
 Data: < &#174;&#204;&#234;&#137;           > 08 AE CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000289EACD8320, 16 bytes long.
 Data: <&#224;&#173;&#204;&#234;&#137;           > E0 AD CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000289EACD7C40, 16 bytes long.
 Data: <&#184;&#173;&#204;&#234;&#137;           > B8 AD CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000289EACD2060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000289EACD7D80, 16 bytes long.
 Data: < &#173;&#204;&#234;&#137;           > 90 AD CC EA 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000289EACCAD90, 320 bytes long.
 Data: < }&#205;&#234;&#137;   ` &#205;&#234;&#137;   > 80 7D CD EA 89 02 00 00 60 20 CD EA 89 02 00 00 
{276} normal block at 0x00000289EACD7830, 16 bytes long.
 Data: <0s&#205;&#234;&#137;           > 30 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000289EACD82D0, 16 bytes long.
 Data: < s&#205;&#234;&#137;           > 08 73 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000289EACD1820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000289EACD8370, 16 bytes long.
 Data: <&#224;r&#205;&#234;&#137;           > E0 72 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000289EACD1FA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000289EACD8280, 16 bytes long.
 Data: <(r&#205;&#234;&#137;           > 28 72 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000289EACD7E70, 16 bytes long.
 Data: < r&#205;&#234;&#137;           > 00 72 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000289EACD7E20, 16 bytes long.
 Data: <&#216;q&#205;&#234;&#137;           > D8 71 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000289EACD77E0, 16 bytes long.
 Data: <&#176;q&#205;&#234;&#137;           > B0 71 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000289EACD81E0, 16 bytes long.
 Data: < q&#205;&#234;&#137;           > 88 71 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000289EACD0BB0, 16 bytes long.
 Data: <`q&#205;&#234;&#137;           > 60 71 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000289EACD0AC0, 16 bytes long.
 Data: <pn&#205;&#234;&#137;           > 70 6E CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000289EACD6E70, 40 bytes long.
 Data: <&#192; &#205;&#234;&#137;   P&#202;&#171;&#236;&#137;   > C0 0A CD EA 89 02 00 00 50 CA AB EC 89 02 00 00 
{262} normal block at 0x00000289EACD0A70, 16 bytes long.
 Data: <@q&#205;&#234;&#137;           > 40 71 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000289EACD0610, 16 bytes long.
 Data: < q&#205;&#234;&#137;           > 18 71 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000289EACD2000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000289EACD0CA0, 16 bytes long.
 Data: <&#240;p&#205;&#234;&#137;           > F0 70 CD EA 89 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000289EACD70F0, 992 bytes long.
 Data: <&#160; &#205;&#234;&#137;     &#205;&#234;&#137;   > A0 0C CD EA 89 02 00 00 00 20 CD EA 89 02 00 00 
{94} normal block at 0x00000289EACD1E20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000289EACD11A0, 16 bytes long.
 Data: <&#176;&#211;&#203;&#234;&#137;           > B0 D3 CB EA 89 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000289EACBD3B0, 40 bytes long.
 Data: <&#160; &#205;&#234;&#137;     &#205;&#234;&#137;   > A0 11 CD EA 89 02 00 00 20 1E CD EA 89 02 00 00 
{71} normal block at 0x00000289EACD0C00, 16 bytes long.
 Data: < &#234;'s&#247;           > 80 EA 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000289EACD12E0, 16 bytes long.
 Data: <@&#233;'s&#247;           > 40 E9 27 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000289EACD09D0, 16 bytes long.
 Data: <&#248;W$s&#247;           > F8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000289EACD10B0, 16 bytes long.
 Data: <&#216;W$s&#247;           > D8 57 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000289EACD0D40, 16 bytes long.
 Data: <P $s&#247;           > 50 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000289EACD14C0, 16 bytes long.
 Data: <0 $s&#247;           > 30 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000289EACD0E80, 16 bytes long.
 Data: <&#224; $s&#247;           > E0 02 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000289EACD07A0, 16 bytes long.
 Data: <  $s&#247;           > 10 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000289EACD08E0, 16 bytes long.
 Data: <p $s&#247;           > 70 04 24 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000289EACD1470, 16 bytes long.
 Data: < &#192;"s&#247;           > 18 C0 22 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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