Task 38684133

Name test_366-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1961_0
Workunit 31625656
Created 27 Oct 2026, 14:51:12 UTC
Sent 27 Oct 2026, 14:51:39 UTC
Report deadline 1 Nov 2026, 14:51:39 UTC
Received 27 Oct 2026, 20:14:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 15 sec
CPU time 1 hours 43 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.47 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:29:34 (11480): wrapper (7.9.26016): starting
14:29:34 (11480): 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
14:29:37 (11480): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:29:37 (11480): 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
16:14:08 (11480): C:/Windows/system32/cmd.exe exited; CPU time 6225.828125
16:14:08 (11480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 77871825 bytes.
Dumping objects ->
{3835209} normal block at 0x000001F8E7BD7960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001F8E7BD7880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001F8E7BD8060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x000001F8E7BD79D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001F8E7BD7C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x000001F8E97ADD10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x000001F8E980F020, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835120} normal block at 0x000001F8E7BA7A80, 8 bytes long.
 Data: <  &#180;&#231;&#248;   > 00 00 B4 E7 F8 01 00 00 
{3834523} normal block at 0x000001F8E980ED60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001F8E7BA7710, 8 bytes long.
 Data: <&#240;w&#137;&#233;&#248;   > F0 77 89 E9 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F8E7BB3550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F8E7B95C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001F8E7BB5170, 16 bytes long.
 Data: <HV&#187;&#231;&#248;           > 48 56 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F8E7BB5120, 16 bytes long.
 Data: < V&#187;&#231;&#248;           > 20 56 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F8E7BAD8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001F8E7BB4B80, 16 bytes long.
 Data: <&#248;U&#187;&#231;&#248;           > F8 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F8E7BB46D0, 16 bytes long.
 Data: <&#208;U&#187;&#231;&#248;           > D0 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F8E7BB4680, 16 bytes long.
 Data: <&#168;U&#187;&#231;&#248;           > A8 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F8E7BB4B30, 16 bytes long.
 Data: < U&#187;&#231;&#248;           > 80 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F8E7BAC3B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001F8E7BB4C70, 16 bytes long.
 Data: <&#232;&#206;&#186;&#231;&#248;           > E8 CE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F8E7BAD650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001F8E7BB43B0, 16 bytes long.
 Data: <&#192;&#206;&#186;&#231;&#248;           > C0 CE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F8E7BB47C0, 16 bytes long.
 Data: < &#206;&#186;&#231;&#248;           > 98 CE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F8E7BB4630, 16 bytes long.
 Data: <p&#206;&#186;&#231;&#248;           > 70 CE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F8E7BB50D0, 16 bytes long.
 Data: <H&#206;&#186;&#231;&#248;           > 48 CE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F8E7BB4770, 16 bytes long.
 Data: < &#206;&#186;&#231;&#248;           > 20 CE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F8E7BB49F0, 16 bytes long.
 Data: <&#248;&#205;&#186;&#231;&#248;           > F8 CD BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F8E7BADE90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001F8E7BB4AE0, 16 bytes long.
 Data: <&#208;&#205;&#186;&#231;&#248;           > D0 CD BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F8E7BACDD0, 320 bytes long.
 Data: <&#224;J&#187;&#231;&#248;    &#222;&#186;&#231;&#248;   > E0 4A BB E7 F8 01 00 00 90 DE BA E7 F8 01 00 00 
{268} normal block at 0x000001F8E7BB4E00, 16 bytes long.
 Data: <`U&#187;&#231;&#248;           > 60 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F8E7BB4D10, 16 bytes long.
 Data: <8U&#187;&#231;&#248;           > 38 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F8E7BAD1D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001F8E7BB4A90, 16 bytes long.
 Data: < U&#187;&#231;&#248;           > 10 55 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F8E7BAD2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001F8E7BB4C20, 16 bytes long.
 Data: <XT&#187;&#231;&#248;           > 58 54 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F8E7BB4400, 16 bytes long.
 Data: <0T&#187;&#231;&#248;           > 30 54 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F8E7BB4860, 16 bytes long.
 Data: < T&#187;&#231;&#248;           > 08 54 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F8E7BB4F40, 16 bytes long.
 Data: <&#224;S&#187;&#231;&#248;           > E0 53 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F8E7BB4A40, 16 bytes long.
 Data: <&#184;S&#187;&#231;&#248;           > B8 53 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F8E7BB52B0, 16 bytes long.
 Data: < S&#187;&#231;&#248;           > 90 53 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F8E7BB49A0, 16 bytes long.
 Data: <p&#190;&#186;&#231;&#248;           > 70 BE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F8E7BABE70, 40 bytes long.
 Data: <&#160;I&#187;&#231;&#248;    &#221;z&#233;&#248;   > A0 49 BB E7 F8 01 00 00 10 DD 7A E9 F8 01 00 00 
{254} normal block at 0x000001F8E7BB4BD0, 16 bytes long.
 Data: <pS&#187;&#231;&#248;           > 70 53 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F8E7BB4360, 16 bytes long.
 Data: <HS&#187;&#231;&#248;           > 48 53 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F8E7BADA70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001F8E7BB5260, 16 bytes long.
 Data: < S&#187;&#231;&#248;           > 20 53 BB E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001F8E7BB5320, 992 bytes long.
 Data: <`R&#187;&#231;&#248;   p&#218;&#186;&#231;&#248;   > 60 52 BB E7 F8 01 00 00 70 DA BA E7 F8 01 00 00 
{86} normal block at 0x000001F8E7BADBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001F8E7BA7A30, 16 bytes long.
 Data: < &#190;&#186;&#231;&#248;           > 00 BE BA E7 F8 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001F8E7BABE00, 40 bytes long.
 Data: <0z&#186;&#231;&#248;   &#240;&#219;&#186;&#231;&#248;   > 30 7A BA E7 F8 01 00 00 F0 DB BA E7 F8 01 00 00 
{63} normal block at 0x000001F8E7BA78A0, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F8E7BA7E90, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F8E7BA7530, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F8E7BA7850, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F8E7BA7D50, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F8E7BA7440, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F8E7BA7BC0, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F8E7BA70D0, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F8E7BA7080, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F8E7BA7800, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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