Task 38697666

Name test_577-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3639_0
Workunit 31638224
Created 1 Nov 2026, 19:16:30 UTC
Sent 1 Nov 2026, 19:16:36 UTC
Report deadline 6 Nov 2026, 19:16:36 UTC
Received 1 Nov 2026, 19:43:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639142
Run time 25 min 54 sec
CPU time 23 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.64 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:18:37 (28796): wrapper (7.9.26016): starting
20:18:37 (28796): 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
20:18:38 (28796): Library/usr/bin/tar.exe exited; CPU time 0.031250
20:18:38 (28796): 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:\BOINCDATA\slots\33\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:\BOINCDATA\slots\33\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
20:42:51 (28796): C:/Windows/system32/cmd.exe exited; CPU time 1405.156250
20:42:51 (28796): 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: 27476685 bytes.
Dumping objects ->
{3835472} normal block at 0x000001EF05ED8DA0, 48 bytes long.
 Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835461} normal block at 0x000001EF07BA29D0, 32 bytes long.
 Data: <HOME=D:\BOINCDAT> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835450} normal block at 0x000001EF07BA2430, 32 bytes long.
 Data: <TMP=D:\BOINCDATA> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 41 
{3835439} normal block at 0x000001EF07BA12F0, 32 bytes long.
 Data: <TEMP=D:\BOINCDAT> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835428} normal block at 0x000001EF07BA1410, 32 bytes long.
 Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44 
{3835397} normal block at 0x000001EF05ED9580, 48 bytes long.
 Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835386} normal block at 0x000001EF07B6F790, 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) : {3835383} normal block at 0x000001EF05EB0C70, 8 bytes long.
 Data: <  * &#239;   > 00 00 2A 06 EF 01 00 00 
{3834666} normal block at 0x000001EF07B6F630, 102 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 0x000001EF05EB0130, 8 bytes long.
 Data: <&#240;&#164;&#237; &#239;   > F0 A4 ED 05 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001EF05EA7370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001EF05EA0150, 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 0x000001EF05EB5F20, 16 bytes long.
 Data: < j&#235; &#239;           > 88 6A EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001EF05EB5930, 16 bytes long.
 Data: <`j&#235; &#239;           > 60 6A EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EF05EB1BE0, 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 0x000001EF05EB6150, 16 bytes long.
 Data: <8j&#235; &#239;           > 38 6A EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EF05EB65B0, 16 bytes long.
 Data: < j&#235; &#239;           > 10 6A EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EF05EB6100, 16 bytes long.
 Data: <&#232;i&#235; &#239;           > E8 69 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EF05EB5B60, 16 bytes long.
 Data: <&#192;i&#235; &#239;           > C0 69 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EF05EB42D0, 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 0x000001EF05EB6560, 16 bytes long.
 Data: <(&#253;&#234; &#239;           > 28 FD EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EF05EB1100, 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 0x000001EF05EB64C0, 16 bytes long.
 Data: < &#253;&#234; &#239;           > 00 FD EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EF05EB5C00, 16 bytes long.
 Data: <&#216;&#252;&#234; &#239;           > D8 FC EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EF05EB57A0, 16 bytes long.
 Data: <&#176;&#252;&#234; &#239;           > B0 FC EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF05EB6060, 16 bytes long.
 Data: < &#252;&#234; &#239;           > 88 FC EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EF05EB6510, 16 bytes long.
 Data: <`&#252;&#234; &#239;           > 60 FC EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EF05EB6420, 16 bytes long.
 Data: <8&#252;&#234; &#239;           > 38 FC EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EF05EB0F20, 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 0x000001EF05EB63D0, 16 bytes long.
 Data: < &#252;&#234; &#239;           > 10 FC EA 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EF05EAFC10, 320 bytes long.
 Data: <&#208;c&#235; &#239;     &#235; &#239;   > D0 63 EB 05 EF 01 00 00 20 0F EB 05 EF 01 00 00 
{281} normal block at 0x000001EF05EB6600, 16 bytes long.
 Data: <&#160;i&#235; &#239;           > A0 69 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EF05EB59D0, 16 bytes long.
 Data: <xi&#235; &#239;           > 78 69 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF05EB1400, 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 0x000001EF05EB5890, 16 bytes long.
 Data: <Pi&#235; &#239;           > 50 69 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF05EB1D60, 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 0x000001EF05EB6380, 16 bytes long.
 Data: < h&#235; &#239;           > 98 68 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF05EB5B10, 16 bytes long.
 Data: <ph&#235; &#239;           > 70 68 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EF05EB5A20, 16 bytes long.
 Data: <Hh&#235; &#239;           > 48 68 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EF05EB5E30, 16 bytes long.
 Data: < h&#235; &#239;           > 20 68 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EF05EB6470, 16 bytes long.
 Data: <&#248;g&#235; &#239;           > F8 67 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EF05EB66A0, 16 bytes long.
 Data: <&#208;g&#235; &#239;           > D0 67 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EF05EB6650, 16 bytes long.
 Data: <@C&#235; &#239;           > 40 43 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EF05EB4340, 40 bytes long.
 Data: <Pf&#235; &#239;    &#149;&#237; &#239;   > 50 66 EB 05 EF 01 00 00 80 95 ED 05 EF 01 00 00 
{267} normal block at 0x000001EF05EB66F0, 16 bytes long.
 Data: <&#176;g&#235; &#239;           > B0 67 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF05EB5F70, 16 bytes long.
 Data: < g&#235; &#239;           > 88 67 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EF05EB15E0, 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 0x000001EF05EB6330, 16 bytes long.
 Data: <`g&#235; &#239;           > 60 67 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EF05EB6760, 992 bytes long.
 Data: <0c&#235; &#239;   &#224; &#235; &#239;   > 30 63 EB 05 EF 01 00 00 E0 15 EB 05 EF 01 00 00 
{99} normal block at 0x000001EF05EB1220, 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 0x000001EF05EB01D0, 16 bytes long.
 Data: <`B&#235; &#239;           > 60 42 EB 05 EF 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001EF05EB4260, 40 bytes long.
 Data: <&#208; &#235; &#239;     &#235; &#239;   > D0 01 EB 05 EF 01 00 00 20 12 EB 05 EF 01 00 00 
{76} normal block at 0x000001EF05EB0040, 16 bytes long.
 Data: < &#234;Eo&#247;           > 80 EA 45 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001EF05EB06D0, 16 bytes long.
 Data: <@&#233;Eo&#247;           > 40 E9 45 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EF05EAFEB0, 16 bytes long.
 Data: <&#248;WBo&#247;           > F8 57 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EF05EB04F0, 16 bytes long.
 Data: <&#216;WBo&#247;           > D8 57 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EF05EB0090, 16 bytes long.
 Data: <P Bo&#247;           > 50 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EF05EB0C20, 16 bytes long.
 Data: <0 Bo&#247;           > 30 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EF05EB0DB0, 16 bytes long.
 Data: <&#224; Bo&#247;           > E0 02 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EF05EB0770, 16 bytes long.
 Data: <  Bo&#247;           > 10 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EF05EB0360, 16 bytes long.
 Data: <p Bo&#247;           > 70 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EF05EB0400, 16 bytes long.
 Data: < &#192;@o&#247;           > 18 C0 40 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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