Task 38664012

Name test_124-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8708_1
Workunit 31607073
Created 24 Oct 2026, 23:04:14 UTC
Sent 24 Oct 2026, 23:04:34 UTC
Report deadline 29 Oct 2026, 23:04:34 UTC
Received 24 Oct 2026, 23:54:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646363
Run time 47 min 1 sec
CPU time 42 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,611.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.71 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:06:28 (24608): wrapper (7.9.26016): starting
00:06:28 (24608): 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
00:06:30 (24608): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:06:30 (24608): 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 'D:\ProgramData\BOINC\slots\3\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 'D:\ProgramData\BOINC\slots\3\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
00:53:26 (24608): C:/Windows/system32/cmd.exe exited; CPU time 2558.000000
00:53:26 (24608): 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: 62247049 bytes.
Dumping objects ->
{3835471} normal block at 0x000002513D2691A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002513B685250, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x000002513B6852C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x000002513B6851E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000002513B685560, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x000002513D277C80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835383} normal block at 0x000002513B67FA50, 8 bytes long.
 Data: <  &#189;;Q   > 00 00 BD 3B 51 02 00 00 
{3833963} normal block at 0x000002513B67FBE0, 8 bytes long.
 Data: <pW0=Q   > 70 57 30 3D 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002513B682040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002513B676270, 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 0x000002513B686060, 16 bytes long.
 Data: < oh;Q           > 88 6F 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002513B6866F0, 16 bytes long.
 Data: <`oh;Q           > 60 6F 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002513B67D6D0, 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 0x000002513B6867E0, 16 bytes long.
 Data: <8oh;Q           > 38 6F 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002513B686B00, 16 bytes long.
 Data: < oh;Q           > 10 6F 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002513B685F70, 16 bytes long.
 Data: <&#232;nh;Q           > E8 6E 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002513B685ED0, 16 bytes long.
 Data: <&#192;nh;Q           > C0 6E 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002513B685100, 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 0x000002513B6869C0, 16 bytes long.
 Data: <X&#242;f;Q           > 58 F2 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002513B67D670, 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 0x000002513B686970, 16 bytes long.
 Data: <0&#242;f;Q           > 30 F2 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002513B6863D0, 16 bytes long.
 Data: < &#242;f;Q           > 08 F2 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002513B6861A0, 16 bytes long.
 Data: <&#224;&#241;f;Q           > E0 F1 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002513B686920, 16 bytes long.
 Data: <&#184;&#241;f;Q           > B8 F1 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002513B686420, 16 bytes long.
 Data: < &#241;f;Q           > 90 F1 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002513B686510, 16 bytes long.
 Data: <h&#241;f;Q           > 68 F1 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002513B67DCD0, 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 0x000002513B6862E0, 16 bytes long.
 Data: <@&#241;f;Q           > 40 F1 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002513B66F140, 320 bytes long.
 Data: <&#224;bh;Q   &#208;&#220;g;Q   > E0 62 68 3B 51 02 00 00 D0 DC 67 3B 51 02 00 00 
{277} normal block at 0x000002513B686470, 16 bytes long.
 Data: <&#160;nh;Q           > A0 6E 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002513B686380, 16 bytes long.
 Data: <xnh;Q           > 78 6E 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002513B67DDF0, 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 0x000002513B685E80, 16 bytes long.
 Data: <Pnh;Q           > 50 6E 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002513B67E150, 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 0x000002513B686B50, 16 bytes long.
 Data: < mh;Q           > 98 6D 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002513B686790, 16 bytes long.
 Data: <pmh;Q           > 70 6D 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002513B6861F0, 16 bytes long.
 Data: <Hmh;Q           > 48 6D 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002513B686A60, 16 bytes long.
 Data: < mh;Q           > 20 6D 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002513B686240, 16 bytes long.
 Data: <&#248;lh;Q           > F8 6C 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002513B6868D0, 16 bytes long.
 Data: <&#208;lh;Q           > D0 6C 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002513B686830, 16 bytes long.
 Data: <&#208;Uh;Q           > D0 55 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002513B6855D0, 40 bytes long.
 Data: <0hh;Q    |'=Q   > 30 68 68 3B 51 02 00 00 80 7C 27 3D 51 02 00 00 
{263} normal block at 0x000002513B686330, 16 bytes long.
 Data: <&#176;lh;Q           > B0 6C 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002513B686150, 16 bytes long.
 Data: < lh;Q           > 88 6C 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002513B67E030, 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 0x000002513B686010, 16 bytes long.
 Data: <`lh;Q           > 60 6C 68 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002513B686C60, 992 bytes long.
 Data: < `h;Q   0&#224;g;Q   > 10 60 68 3B 51 02 00 00 30 E0 67 3B 51 02 00 00 
{95} normal block at 0x000002513B67DE50, 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 0x000002513B680360, 16 bytes long.
 Data: <&#208;&#240;f;Q           > D0 F0 66 3B 51 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002513B66F0D0, 40 bytes long.
 Data: <` h;Q   P&#222;g;Q   > 60 03 68 3B 51 02 00 00 50 DE 67 3B 51 02 00 00 
{72} normal block at 0x000002513B67F6E0, 16 bytes long.
 Data: < &#234;&#218;&#168;&#247;           > 80 EA DA A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002513B67F960, 16 bytes long.
 Data: <@&#233;&#218;&#168;&#247;           > 40 E9 DA A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002513B680040, 16 bytes long.
 Data: <&#248;W&#215;&#168;&#247;           > F8 57 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002513B6804A0, 16 bytes long.
 Data: <&#216;W&#215;&#168;&#247;           > D8 57 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002513B6800E0, 16 bytes long.
 Data: <P &#215;&#168;&#247;           > 50 04 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002513B680400, 16 bytes long.
 Data: <0 &#215;&#168;&#247;           > 30 04 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002513B67F8C0, 16 bytes long.
 Data: <&#224; &#215;&#168;&#247;           > E0 02 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002513B67F820, 16 bytes long.
 Data: <  &#215;&#168;&#247;           > 10 04 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002513B67F780, 16 bytes long.
 Data: <p &#215;&#168;&#247;           > 70 04 D7 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002513B6802C0, 16 bytes long.
 Data: < &#192;&#213;&#168;&#247;           > 18 C0 D5 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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