Task 38675215

Name test_14-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4642_0
Workunit 31617199
Created 26 Oct 2026, 7:37:29 UTC
Sent 26 Oct 2026, 7:37:46 UTC
Report deadline 31 Oct 2026, 7:37:46 UTC
Received 26 Oct 2026, 9:54:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 24 sec
CPU time 36 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.85 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:12:55 (15852): wrapper (7.9.26016): starting
05:12:55 (15852): 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
05:12:56 (15852): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:12:56 (15852): 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\0\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\0\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
05:54:03 (15852): C:/Windows/system32/cmd.exe exited; CPU time 2215.171875
05:54:03 (15852): 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: 41552693 bytes.
Dumping objects ->
{3835188} normal block at 0x0000000000494720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000000000494790, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x00000000004946B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x0000000000494BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000000000494640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x00000000025B63B0, 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) : {3835100} normal block at 0x000000000048FCF0, 8 bytes long.
 Data: <  &#132;     > 00 00 84 00 00 00 00 00 
{3833951} normal block at 0x000000000048F660, 8 bytes long.
 Data: <P M     > 50 08 4D 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000000000491250, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000000000486BE0, 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 0x00000000004958E0, 16 bytes long.
 Data: <&#216;SI             > D8 53 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000000004956B0, 16 bytes long.
 Data: <&#176;SI             > B0 53 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000000000048F090, 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 0x0000000000496150, 16 bytes long.
 Data: < SI             > 88 53 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000000000495D40, 16 bytes long.
 Data: <`SI             > 60 53 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000004957F0, 16 bytes long.
 Data: <8SI             > 38 53 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000000000495FC0, 16 bytes long.
 Data: < SI             > 10 53 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000000004944F0, 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 0x0000000000495660, 16 bytes long.
 Data: <&#184;&#219;G             > B8 DB 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000000000048EA90, 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 0x0000000000495E80, 16 bytes long.
 Data: < &#219;G             > 90 DB 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000000000495700, 16 bytes long.
 Data: <h&#219;G             > 68 DB 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000000000495C00, 16 bytes long.
 Data: <@&#219;G             > 40 DB 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000000000495930, 16 bytes long.
 Data: < &#219;G             > 18 DB 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000004959D0, 16 bytes long.
 Data: <&#240;&#218;G             > F0 DA 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000496060, 16 bytes long.
 Data: <&#200;&#218;G             > C8 DA 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000000000048F330, 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 0x00000000004961F0, 16 bytes long.
 Data: <&#160;&#218;G             > A0 DA 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000000000047DAA0, 320 bytes long.
 Data: <&#240;aI     0&#243;H     > F0 61 49 00 00 00 00 00 30 F3 48 00 00 00 00 00 
{271} normal block at 0x00000000004962E0, 16 bytes long.
 Data: <&#240;RI             > F0 52 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000496290, 16 bytes long.
 Data: <&#200;RI             > C8 52 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000000000048EF70, 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 0x00000000004960B0, 16 bytes long.
 Data: <&#160;RI             > A0 52 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000000000048EDF0, 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 0x0000000000495CF0, 16 bytes long.
 Data: <&#232;QI             > E8 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000495D90, 16 bytes long.
 Data: <&#192;QI             > C0 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000000000495CA0, 16 bytes long.
 Data: < QI             > 98 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000000000496010, 16 bytes long.
 Data: <pQI             > 70 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000000000490100, 16 bytes long.
 Data: <HQI             > 48 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000004900B0, 16 bytes long.
 Data: < QI             > 20 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000000000048FD90, 16 bytes long.
 Data: <&#192;II             > C0 49 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000000004949C0, 40 bytes long.
 Data: < &#253;H     &#176;c[     > 90 FD 48 00 00 00 00 00 B0 63 5B 02 00 00 00 00 
{257} normal block at 0x000000000048FA20, 16 bytes long.
 Data: < QI             > 00 51 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000000000490290, 16 bytes long.
 Data: <&#216;PI             > D8 50 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000000000048ED30, 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 0x000000000048F8E0, 16 bytes long.
 Data: <&#176;PI             > B0 50 49 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000004950B0, 992 bytes long.
 Data: <&#224;&#248;H     0&#237;H     > E0 F8 48 00 00 00 00 00 30 ED 48 00 00 00 00 00 
{89} normal block at 0x000000000048E5B0, 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 0x000000000048F6B0, 16 bytes long.
 Data: <&#192;&#215;G             > C0 D7 47 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000000000047D7C0, 40 bytes long.
 Data: <&#176;&#246;H     &#176;&#229;H     > B0 F6 48 00 00 00 00 00 B0 E5 48 00 00 00 00 00 
{66} normal block at 0x0000000000490330, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000000000048FC00, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000000000048F5C0, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000000000490150, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000000000048FCA0, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000000000048FB60, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000000000048F980, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000000000048FFC0, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000000000048F750, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000000000490420, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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