Task 38685251

Name test_373-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND5083_1
Workunit 31593279
Created 27 Oct 2026, 20:10:44 UTC
Sent 27 Oct 2026, 20:10:48 UTC
Report deadline 1 Nov 2026, 20:10:48 UTC
Received 27 Oct 2026, 23:58:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 33 min 12 sec
CPU time 1 hours 17 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.87 MB
Peak swap size 5.23 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:27:25 (9808): wrapper (7.9.26016): starting
15:27:25 (9808): 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
15:27:29 (9808): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:27:29 (9808): 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
16:57:43 (9808): C:/Windows/system32/cmd.exe exited; CPU time 4675.000000
16:57:43 (9808): 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: 78381143 bytes.
Dumping objects ->
{3835221} normal block at 0x0000025A44861100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000025A44861250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000025A44860FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000025A44860F40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000025A44860D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x0000025A4496C910, 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) : {3835133} normal block at 0x0000025A42EE7E70, 8 bytes long.
 Data: <  &#236;BZ   > 00 00 EC 42 5A 02 00 00 
{3833949} normal block at 0x0000025A42EE77E0, 8 bytes long.
 Data: <&#176;&#245;&#149;DZ   > B0 F5 95 44 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000025A42EF1980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025A42EED8A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000025A42EF3780, 16 bytes long.
 Data: < M&#239;BZ           > 08 4D EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025A42EF3820, 16 bytes long.
 Data: <&#224;L&#239;BZ           > E0 4C EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025A42EEE300, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000025A42EF3050, 16 bytes long.
 Data: <&#184;L&#239;BZ           > B8 4C EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025A42EF2A10, 16 bytes long.
 Data: < L&#239;BZ           > 90 4C EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025A42EF2E20, 16 bytes long.
 Data: <hL&#239;BZ           > 68 4C EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025A42EF37D0, 16 bytes long.
 Data: <@L&#239;BZ           > 40 4C EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025A42EECA10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000025A42EF3320, 16 bytes long.
 Data: <&#184;&#208;&#237;BZ           > B8 D0 ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025A42EEE960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000025A42EF3690, 16 bytes long.
 Data: < &#208;&#237;BZ           > 90 D0 ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025A42EF30A0, 16 bytes long.
 Data: <h&#208;&#237;BZ           > 68 D0 ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025A42EF33C0, 16 bytes long.
 Data: <@&#208;&#237;BZ           > 40 D0 ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025A42EF2A60, 16 bytes long.
 Data: < &#208;&#237;BZ           > 18 D0 ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025A42EF2FB0, 16 bytes long.
 Data: <&#240;&#207;&#237;BZ           > F0 CF ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025A42EF3640, 16 bytes long.
 Data: <&#200;&#207;&#237;BZ           > C8 CF ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025A42EEE5A0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000025A42EF3230, 16 bytes long.
 Data: <&#160;&#207;&#237;BZ           > A0 CF ED 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025A42EDCFA0, 320 bytes long.
 Data: <02&#239;BZ   &#160;&#229;&#238;BZ   > 30 32 EF 42 5A 02 00 00 A0 E5 EE 42 5A 02 00 00 
{270} normal block at 0x0000025A42EF2F60, 16 bytes long.
 Data: < L&#239;BZ           > 20 4C EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025A42EF36E0, 16 bytes long.
 Data: <&#248;K&#239;BZ           > F8 4B EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025A42EEDCA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000025A42EF3280, 16 bytes long.
 Data: <&#208;K&#239;BZ           > D0 4B EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025A42EEE780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000025A42EF31E0, 16 bytes long.
 Data: < K&#239;BZ           > 18 4B EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025A42EF3000, 16 bytes long.
 Data: <&#240;J&#239;BZ           > F0 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025A42EF2C90, 16 bytes long.
 Data: <&#200;J&#239;BZ           > C8 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025A42EF2CE0, 16 bytes long.
 Data: <&#160;J&#239;BZ           > A0 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025A42EF35A0, 16 bytes long.
 Data: <xJ&#239;BZ           > 78 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025A42EF2F10, 16 bytes long.
 Data: <PJ&#239;BZ           > 50 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025A42EF2BA0, 16 bytes long.
 Data: < &#199;&#238;BZ           > 00 C7 EE 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025A42EEC700, 40 bytes long.
 Data: <&#160;+&#239;BZ    &#201;&#150;DZ   > A0 2B EF 42 5A 02 00 00 10 C9 96 44 5A 02 00 00 
{256} normal block at 0x0000025A42EF3190, 16 bytes long.
 Data: <0J&#239;BZ           > 30 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025A42EF34B0, 16 bytes long.
 Data: < J&#239;BZ           > 08 4A EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025A42EEE540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000025A42EF3550, 16 bytes long.
 Data: <&#224;I&#239;BZ           > E0 49 EF 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000025A42EF49E0, 992 bytes long.
 Data: <P5&#239;BZ   @&#229;&#238;BZ   > 50 35 EF 42 5A 02 00 00 40 E5 EE 42 5A 02 00 00 
{88} normal block at 0x0000025A42EEE2A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000025A42EE7600, 16 bytes long.
 Data: <@&#197;&#238;BZ           > 40 C5 EE 42 5A 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000025A42EEC540, 40 bytes long.
 Data: < v&#238;BZ   &#160;&#226;&#238;BZ   > 00 76 EE 42 5A 02 00 00 A0 E2 EE 42 5A 02 00 00 
{65} normal block at 0x0000025A42EE80A0, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025A42EE7380, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025A42EE7330, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025A42EE7510, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025A42EE8050, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025A42EE7B00, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025A42EE7920, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025A42EE76F0, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025A42EE75B0, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025A42EE7FB0, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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