Task 38679773

Name test_717-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8342_0
Workunit 31621536
Created 26 Oct 2026, 21:42:45 UTC
Sent 26 Oct 2026, 21:42:57 UTC
Report deadline 31 Oct 2026, 21:42:57 UTC
Received 28 Oct 2026, 9:00:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 25 min 18 sec
CPU time 23 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.47 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:34:25 (35476): wrapper (7.9.26016): starting
09:34:25 (35476): 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
09:34:26 (35476): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:34:26 (35476): 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 'E:\BOINC\data\slots\1\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 'E:\BOINC\data\slots\1\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
09:58:47 (35476): C:/Windows/system32/cmd.exe exited; CPU time 1420.515625
09:58:47 (35476): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 33800999 bytes.
Dumping objects ->
{3835311} normal block at 0x00000235E17852E0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x00000235E1742DF0, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x00000235E1742130, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x00000235E1741AD0, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x00000235E1741F50, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x00000235E1785190, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x00000235E170FAA0, 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) : {3835222} normal block at 0x00000235DFA3F1E0, 8 bytes long.
 Data: <  &#249;&#223;5   > 00 00 F9 DF 35 02 00 00 
{3834590} normal block at 0x00000235E170F470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x00000235DFA3E9C0, 8 bytes long.
 Data: < &#167;&#166;&#223;5   > 10 A7 A6 DF 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000235DFA36DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000235DFA38390, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000235DFA466E0, 16 bytes long.
 Data: < u&#164;&#223;5           > 18 75 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000235DFA46A50, 16 bytes long.
 Data: <&#240;t&#164;&#223;5           > F0 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000235DFA40EC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000235DFA468C0, 16 bytes long.
 Data: <&#200;t&#164;&#223;5           > C8 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000235DFA46D20, 16 bytes long.
 Data: <&#160;t&#164;&#223;5           > A0 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000235DFA46410, 16 bytes long.
 Data: <xt&#164;&#223;5           > 78 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000235DFA46FA0, 16 bytes long.
 Data: <Pt&#164;&#223;5           > 50 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000235DFA44570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000235DFA46910, 16 bytes long.
 Data: <&#232; &#163;&#223;5           > E8 06 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000235DFA40C80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000235DFA46230, 16 bytes long.
 Data: <&#192; &#163;&#223;5           > C0 06 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000235DFA47040, 16 bytes long.
 Data: <  &#163;&#223;5           > 98 06 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000235DFA46F00, 16 bytes long.
 Data: <p &#163;&#223;5           > 70 06 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235DFA465A0, 16 bytes long.
 Data: <H &#163;&#223;5           > 48 06 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000235DFA47180, 16 bytes long.
 Data: <  &#163;&#223;5           > 20 06 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000235DFA469B0, 16 bytes long.
 Data: <&#248; &#163;&#223;5           > F8 05 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000235DFA417C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000235DFA46690, 16 bytes long.
 Data: <&#208; &#163;&#223;5           > D0 05 A3 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000235DFA305D0, 320 bytes long.
 Data: < f&#164;&#223;5   &#192; &#164;&#223;5   > 90 66 A4 DF 35 02 00 00 C0 17 A4 DF 35 02 00 00 
{284} normal block at 0x00000235DFA465F0, 16 bytes long.
 Data: <0t&#164;&#223;5           > 30 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000235DFA462D0, 16 bytes long.
 Data: < t&#164;&#223;5           > 08 74 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000235DFA41A00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000235DFA46370, 16 bytes long.
 Data: <&#224;s&#164;&#223;5           > E0 73 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235DFA40BC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000235DFA47130, 16 bytes long.
 Data: <(s&#164;&#223;5           > 28 73 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000235DFA46820, 16 bytes long.
 Data: < s&#164;&#223;5           > 00 73 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000235DFA46730, 16 bytes long.
 Data: <&#216;r&#164;&#223;5           > D8 72 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000235DFA463C0, 16 bytes long.
 Data: <&#176;r&#164;&#223;5           > B0 72 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000235DFA464B0, 16 bytes long.
 Data: < r&#164;&#223;5           > 88 72 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000235DFA470E0, 16 bytes long.
 Data: <`r&#164;&#223;5           > 60 72 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000235DFA46CD0, 16 bytes long.
 Data: <0G&#164;&#223;5           > 30 47 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000235DFA44730, 40 bytes long.
 Data: <&#208;l&#164;&#223;5    Qx&#225;5   > D0 6C A4 DF 35 02 00 00 90 51 78 E1 35 02 00 00 
{270} normal block at 0x00000235DFA46550, 16 bytes long.
 Data: <@r&#164;&#223;5           > 40 72 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000235DFA467D0, 16 bytes long.
 Data: < r&#164;&#223;5           > 18 72 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000235DFA41760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000235DFA46C80, 16 bytes long.
 Data: <&#240;q&#164;&#223;5           > F0 71 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000235DFA471F0, 992 bytes long.
 Data: < l&#164;&#223;5   ` &#164;&#223;5   > 80 6C A4 DF 35 02 00 00 60 17 A4 DF 35 02 00 00 
{102} normal block at 0x00000235DFA413A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000235DFA3E970, 16 bytes long.
 Data: <&#224;E&#164;&#223;5           > E0 45 A4 DF 35 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000235DFA445E0, 40 bytes long.
 Data: <p&#233;&#163;&#223;5   &#160; &#164;&#223;5   > 70 E9 A3 DF 35 02 00 00 A0 13 A4 DF 35 02 00 00 
{79} normal block at 0x00000235DFA3F190, 16 bytes long.
 Data: < &#234;}d&#247;           > 80 EA 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000235DFA3F7D0, 16 bytes long.
 Data: <@&#233;}d&#247;           > 40 E9 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000235DFA3F500, 16 bytes long.
 Data: <&#248;Wzd&#247;           > F8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000235DFA3F230, 16 bytes long.
 Data: <&#216;Wzd&#247;           > D8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000235DFA3F050, 16 bytes long.
 Data: <P zd&#247;           > 50 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000235DFA3F140, 16 bytes long.
 Data: <0 zd&#247;           > 30 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000235DFA3F780, 16 bytes long.
 Data: <&#224; zd&#247;           > E0 02 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000235DFA3F730, 16 bytes long.
 Data: <  zd&#247;           > 10 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000235DFA3F2D0, 16 bytes long.
 Data: <p zd&#247;           > 70 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000235DFA3F0F0, 16 bytes long.
 Data: < &#192;xd&#247;           > 18 C0 78 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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