Task 38664813

Name test_185-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9325_0
Workunit 31607938
Created 25 Oct 2026, 0:12:42 UTC
Sent 25 Oct 2026, 0:13:40 UTC
Report deadline 30 Oct 2026, 0:13:40 UTC
Received 25 Oct 2026, 6:02:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 26 min 43 sec
CPU time 1 hours 16 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.71 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>
05:37:15 (32976): wrapper (7.9.26016): starting
05:37:15 (32976): 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
05:37:18 (32976): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:37:18 (32976): 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:\BOINC\slots\16\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:\BOINC\slots\16\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
07:01:40 (32976): C:/Windows/system32/cmd.exe exited; CPU time 4598.718750
07:01:40 (32976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 121181259 bytes.
Dumping objects ->
{3835538} normal block at 0x000001C1FA8D77C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x000001C1FC4D2510, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x000001C1FC4D1CD0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x000001C1FC4D2210, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x000001C1FC4D1EB0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x000001C1FA8D7750, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x000001C1FA93BF40, 140 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) : {3835449} normal block at 0x000001C1FA8CED90, 8 bytes long.
 Data: <  &#133;&#250;&#193;   > 00 00 85 FA C1 01 00 00 
{3834706} normal block at 0x000001C1FA93C4F0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001C1FA8CE890, 8 bytes long.
 Data: <&#176;tN&#252;&#193;   > B0 74 4E FC C1 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001C1FA8CF2B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C1FA8C7C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001C1FA8D5FD0, 16 bytes long.
 Data: < u &#250;&#193;           > 98 75 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C1FA8D62F0, 16 bytes long.
 Data: <pu &#250;&#193;           > 70 75 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C1FA8D15E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001C1FA8D6520, 16 bytes long.
 Data: <Hu &#250;&#193;           > 48 75 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C1FA8D5DF0, 16 bytes long.
 Data: < u &#250;&#193;           > 20 75 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C1FA8D6BB0, 16 bytes long.
 Data: <&#248;t &#250;&#193;           > F8 74 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C1FA8D62A0, 16 bytes long.
 Data: <&#208;t &#250;&#193;           > D0 74 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C1FA8D78A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001C1FA8D5D50, 16 bytes long.
 Data: <&#168;&#253;&#139;&#250;&#193;           > A8 FD 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C1FA8D1B20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001C1FA8D6250, 16 bytes long.
 Data: < &#253;&#139;&#250;&#193;           > 80 FD 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C1FA8D6070, 16 bytes long.
 Data: <X&#253;&#139;&#250;&#193;           > 58 FD 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C1FA8D69D0, 16 bytes long.
 Data: <0&#253;&#139;&#250;&#193;           > 30 FD 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C1FA8D5E40, 16 bytes long.
 Data: < &#253;&#139;&#250;&#193;           > 08 FD 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C1FA8D6750, 16 bytes long.
 Data: <&#224;&#252;&#139;&#250;&#193;           > E0 FC 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C1FA8D6020, 16 bytes long.
 Data: <&#184;&#252;&#139;&#250;&#193;           > B8 FC 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C1FA8D1700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001C1FA8D6980, 16 bytes long.
 Data: < &#252;&#139;&#250;&#193;           > 90 FC 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C1FA8BFC90, 320 bytes long.
 Data: < i &#250;&#193;      &#250;&#193;   > 80 69 8D FA C1 01 00 00 00 17 8D FA C1 01 00 00 
{281} normal block at 0x000001C1FA8D5D00, 16 bytes long.
 Data: <&#176;t &#250;&#193;           > B0 74 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C1FA8D60C0, 16 bytes long.
 Data: < t &#250;&#193;           > 88 74 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C1FA8D1520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001C1FA8D6840, 16 bytes long.
 Data: <`t &#250;&#193;           > 60 74 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C1FA8D1AC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001C1FA8D6570, 16 bytes long.
 Data: <&#168;s &#250;&#193;           > A8 73 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C1FA8D67A0, 16 bytes long.
 Data: < s &#250;&#193;           > 80 73 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C1FA8D6B10, 16 bytes long.
 Data: <Xs &#250;&#193;           > 58 73 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C1FA8D6700, 16 bytes long.
 Data: <0s &#250;&#193;           > 30 73 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C1FA8D6930, 16 bytes long.
 Data: < s &#250;&#193;           > 08 73 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C1FA8D5F30, 16 bytes long.
 Data: <&#224;r &#250;&#193;           > E0 72 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C1FA8D68E0, 16 bytes long.
 Data: <&#224;  &#250;&#193;           > E0 07 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C1FA8D07E0, 40 bytes long.
 Data: <&#224;h &#250;&#193;   Pw &#250;&#193;   > E0 68 8D FA C1 01 00 00 50 77 8D FA C1 01 00 00 
{267} normal block at 0x000001C1FA8D61B0, 16 bytes long.
 Data: <&#192;r &#250;&#193;           > C0 72 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C1FA8D6160, 16 bytes long.
 Data: < r &#250;&#193;           > 98 72 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C1FA8D1820, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001C1FA8D6C50, 16 bytes long.
 Data: <pr &#250;&#193;           > 70 72 8D FA C1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C1FA8D7270, 992 bytes long.
 Data: <Pl &#250;&#193;      &#250;&#193;   > 50 6C 8D FA C1 01 00 00 20 18 8D FA C1 01 00 00 
{99} normal block at 0x000001C1FA8D11C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001C1FA8CEBB0, 16 bytes long.
 Data: <P &#139;&#250;&#193;           > 50 98 8B FA C1 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001C1FA8B9850, 40 bytes long.
 Data: <&#176;&#235;&#140;&#250;&#193;   &#192;  &#250;&#193;   > B0 EB 8C FA C1 01 00 00 C0 11 8D FA C1 01 00 00 
{76} normal block at 0x000001C1FA8CE1B0, 16 bytes long.
 Data: < &#234;b&#185;&#246;           > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C1FA8CEDE0, 16 bytes long.
 Data: <@&#233;b&#185;&#246;           > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C1FA8CE570, 16 bytes long.
 Data: <&#248;W_&#185;&#246;           > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C1FA8CE8E0, 16 bytes long.
 Data: <&#216;W_&#185;&#246;           > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C1FA8CE520, 16 bytes long.
 Data: <P _&#185;&#246;           > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C1FA8CED40, 16 bytes long.
 Data: <0 _&#185;&#246;           > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C1FA8CE2A0, 16 bytes long.
 Data: <&#224; _&#185;&#246;           > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C1FA8CEB60, 16 bytes long.
 Data: <  _&#185;&#246;           > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C1FA8CE4D0, 16 bytes long.
 Data: <p _&#185;&#246;           > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C1FA8CEA70, 16 bytes long.
 Data: < &#192;]&#185;&#246;           > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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