Task 38646834

Name test_930-GPUGRID_TEST_ATM_1000_20261023-0-1-RND5244_0
Workunit 31591767
Created 23 Oct 2026, 16:49:02 UTC
Sent 23 Oct 2026, 18:06:17 UTC
Report deadline 28 Oct 2026, 18:06:17 UTC
Received 23 Oct 2026, 18:27:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 20 min 22 sec
CPU time 18 min 6 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.67 MB
Peak swap size 9.92 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:07:26 (28596): wrapper (7.9.26016): starting
15:07:26 (28596): 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
15:07:27 (28596): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:07:27 (28596): 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\2\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\2\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
15:27:09 (28596): C:/Windows/system32/cmd.exe exited; CPU time 1086.718750
15:27:09 (28596): 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: 21989315 bytes.
Dumping objects ->
{3835223} normal block at 0x000001839C911170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001839C9116B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001839C9108B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001839C910BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001839C911100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001839CA6B500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835135} normal block at 0x000001839AD2C5F0, 8 bytes long.
 Data: <   &#155;&#131;   > 00 00 1F 9B 83 01 00 00 
{3833977} normal block at 0x000001839AD2C7D0, 8 bytes long.
 Data: < ;&#180;&#156;&#131;   > 80 3B B4 9C 83 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001839AD2D900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001839AD26A90, 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 0x000001839AD34BA0, 16 bytes long.
 Data: < W&#211;&#154;&#131;           > 98 57 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001839AD34380, 16 bytes long.
 Data: <pW&#211;&#154;&#131;           > 70 57 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001839AD2EE00, 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 0x000001839AD34B50, 16 bytes long.
 Data: <HW&#211;&#154;&#131;           > 48 57 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001839AD34EC0, 16 bytes long.
 Data: < W&#211;&#154;&#131;           > 20 57 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001839AD35000, 16 bytes long.
 Data: <&#248;V&#211;&#154;&#131;           > F8 56 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001839AD34790, 16 bytes long.
 Data: <&#208;V&#211;&#154;&#131;           > D0 56 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001839AD2F7A0, 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 0x000001839AD344C0, 16 bytes long.
 Data: <h &#210;&#154;&#131;           > 68 08 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001839AD2EE60, 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 0x000001839AD341F0, 16 bytes long.
 Data: <@ &#210;&#154;&#131;           > 40 08 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001839AD34CE0, 16 bytes long.
 Data: <  &#210;&#154;&#131;           > 18 08 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001839AD34600, 16 bytes long.
 Data: <&#240; &#210;&#154;&#131;           > F0 07 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001839AD34E70, 16 bytes long.
 Data: <&#200; &#210;&#154;&#131;           > C8 07 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001839AD34560, 16 bytes long.
 Data: <&#160; &#210;&#154;&#131;           > A0 07 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001839AD341A0, 16 bytes long.
 Data: <x &#210;&#154;&#131;           > 78 07 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001839AD2EF80, 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 0x000001839AD34C40, 16 bytes long.
 Data: <P &#210;&#154;&#131;           > 50 07 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001839AD20750, 320 bytes long.
 Data: <@L&#211;&#154;&#131;    &#239;&#210;&#154;&#131;   > 40 4C D3 9A 83 01 00 00 80 EF D2 9A 83 01 00 00 
{284} normal block at 0x000001839AD34510, 16 bytes long.
 Data: <&#176;V&#211;&#154;&#131;           > B0 56 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001839AD34290, 16 bytes long.
 Data: < V&#211;&#154;&#131;           > 88 56 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001839AD2F460, 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 0x000001839AD343D0, 16 bytes long.
 Data: <`V&#211;&#154;&#131;           > 60 56 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001839AD2E9E0, 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 0x000001839AD34C90, 16 bytes long.
 Data: <&#168;U&#211;&#154;&#131;           > A8 55 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001839AD34970, 16 bytes long.
 Data: < U&#211;&#154;&#131;           > 80 55 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001839AD346A0, 16 bytes long.
 Data: <XU&#211;&#154;&#131;           > 58 55 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001839AD34150, 16 bytes long.
 Data: <0U&#211;&#154;&#131;           > 30 55 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001839AD34FB0, 16 bytes long.
 Data: < U&#211;&#154;&#131;           > 08 55 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001839AD340B0, 16 bytes long.
 Data: <&#224;T&#211;&#154;&#131;           > E0 54 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001839AD34E20, 16 bytes long.
 Data: <0&#247;&#210;&#154;&#131;           > 30 F7 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001839AD2F730, 40 bytes long.
 Data: < N&#211;&#154;&#131;    &#181;&#166;&#156;&#131;   > 20 4E D3 9A 83 01 00 00 00 B5 A6 9C 83 01 00 00 
{270} normal block at 0x000001839AD34330, 16 bytes long.
 Data: <&#192;T&#211;&#154;&#131;           > C0 54 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001839AD349C0, 16 bytes long.
 Data: < T&#211;&#154;&#131;           > 98 54 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001839AD2EBC0, 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 0x000001839AD34AB0, 16 bytes long.
 Data: <pT&#211;&#154;&#131;           > 70 54 D3 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001839AD35470, 992 bytes long.
 Data: <&#176;J&#211;&#154;&#131;   &#192;&#235;&#210;&#154;&#131;   > B0 4A D3 9A 83 01 00 00 C0 EB D2 9A 83 01 00 00 
{102} normal block at 0x000001839AD2EB00, 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 0x000001839AD2CAA0, 16 bytes long.
 Data: <&#192;&#246;&#210;&#154;&#131;           > C0 F6 D2 9A 83 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001839AD2F6C0, 40 bytes long.
 Data: <&#160;&#202;&#210;&#154;&#131;    &#235;&#210;&#154;&#131;   > A0 CA D2 9A 83 01 00 00 00 EB D2 9A 83 01 00 00 
{79} normal block at 0x000001839AD2C370, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001839AD2C320, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001839AD2CC30, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001839AD2C910, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001839AD2C640, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001839AD2C0F0, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001839AD2CF00, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001839AD2C050, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001839AD2C6E0, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001839AD2CDC0, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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