Task 38683066

Name test_68-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9667_0
Workunit 31624646
Created 27 Oct 2026, 10:17:32 UTC
Sent 27 Oct 2026, 10:17:41 UTC
Report deadline 1 Nov 2026, 10:17:41 UTC
Received 27 Oct 2026, 18:21:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 22 min 21 sec
CPU time 20 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.38 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:58:41 (20736): wrapper (7.9.26016): starting
13:58:41 (20736): 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
13:58:42 (20736): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:58:42 (20736): 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\12\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\12\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
14:20:57 (20736): C:/Windows/system32/cmd.exe exited; CPU time 1209.593750
14:20:57 (20736): 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: 26535507 bytes.
Dumping objects ->
{3835576} normal block at 0x00000240CFC8E120, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x00000240CFC8E0B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x00000240CDEE5690, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x00000240CDEE5460, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000240CDEE5380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x00000240CFCD75B0, 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) : {3835488} normal block at 0x00000240CDEDDCC0, 8 bytes long.
 Data: <  C&#206;@   > 00 00 43 CE 40 02 00 00 
{3833961} normal block at 0x00000240CDEDE1C0, 8 bytes long.
 Data: <&#176;C&#211;&#207;@   > B0 43 D3 CF 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000240CDEE1DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000240CDED68B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000240CDEE60F0, 16 bytes long.
 Data: <&#184;p&#238;&#205;@           > B8 70 EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000240CDEE60A0, 16 bytes long.
 Data: < p&#238;&#205;@           > 90 70 EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000240CDEDF730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000240CDEE6A50, 16 bytes long.
 Data: <hp&#238;&#205;@           > 68 70 EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000240CDEE62D0, 16 bytes long.
 Data: <@p&#238;&#205;@           > 40 70 EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000240CDEE6820, 16 bytes long.
 Data: < p&#238;&#205;@           > 18 70 EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000240CDEE6000, 16 bytes long.
 Data: <&#240;o&#238;&#205;@           > F0 6F EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240CDEE5540, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000240CDEE6C80, 16 bytes long.
 Data: <&#168;&#247;&#236;&#205;@           > A8 F7 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000240CDEDFF10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000240CDEE5FB0, 16 bytes long.
 Data: < &#247;&#236;&#205;@           > 80 F7 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240CDEE6280, 16 bytes long.
 Data: <X&#247;&#236;&#205;@           > 58 F7 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240CDEE5F60, 16 bytes long.
 Data: <0&#247;&#236;&#205;@           > 30 F7 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240CDEE65F0, 16 bytes long.
 Data: < &#247;&#236;&#205;@           > 08 F7 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000240CDEE6BE0, 16 bytes long.
 Data: <&#224;&#246;&#236;&#205;@           > E0 F6 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000240CDEE67D0, 16 bytes long.
 Data: <&#184;&#246;&#236;&#205;@           > B8 F6 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000240CDEE05D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000240CDEE6370, 16 bytes long.
 Data: < &#246;&#236;&#205;@           > 90 F6 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000240CDECF690, 320 bytes long.
 Data: <pc&#238;&#205;@   &#208; &#238;&#205;@   > 70 63 EE CD 40 02 00 00 D0 05 EE CD 40 02 00 00 
{276} normal block at 0x00000240CDEE6230, 16 bytes long.
 Data: <&#208;o&#238;&#205;@           > D0 6F EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000240CDEE5DD0, 16 bytes long.
 Data: <&#168;o&#238;&#205;@           > A8 6F EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240CDEDFDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000240CDEE5EC0, 16 bytes long.
 Data: < o&#238;&#205;@           > 80 6F EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240CDEE0150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000240CDEE6B90, 16 bytes long.
 Data: <&#200;n&#238;&#205;@           > C8 6E EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000240CDEE61E0, 16 bytes long.
 Data: <&#160;n&#238;&#205;@           > A0 6E EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000240CDEE6190, 16 bytes long.
 Data: <xn&#238;&#205;@           > 78 6E EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000240CDEE66E0, 16 bytes long.
 Data: <Pn&#238;&#205;@           > 50 6E EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240CDEE6C30, 16 bytes long.
 Data: <(n&#238;&#205;@           > 28 6E EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000240CDEE6690, 16 bytes long.
 Data: < n&#238;&#205;@           > 00 6E EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240CDEE6960, 16 bytes long.
 Data: < W&#238;&#205;@           > 00 57 EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000240CDEE5700, 40 bytes long.
 Data: <`i&#238;&#205;@   &#176;u&#205;&#207;@   > 60 69 EE CD 40 02 00 00 B0 75 CD CF 40 02 00 00 
{262} normal block at 0x00000240CDEE5F10, 16 bytes long.
 Data: <&#224;m&#238;&#205;@           > E0 6D EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000240CDEE6D20, 16 bytes long.
 Data: <&#184;m&#238;&#205;@           > B8 6D EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000240CDEDFE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000240CDEE6B40, 16 bytes long.
 Data: < m&#238;&#205;@           > 90 6D EE CD 40 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000240CDEE6D90, 992 bytes long.
 Data: <@k&#238;&#205;@   P&#254;&#237;&#205;@   > 40 6B EE CD 40 02 00 00 50 FE ED CD 40 02 00 00 
{94} normal block at 0x00000240CDEE03F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000240CDEDE120, 16 bytes long.
 Data: < &#243;&#236;&#205;@           > 90 F3 EC CD 40 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000240CDECF390, 40 bytes long.
 Data: < &#225;&#237;&#205;@   &#240; &#238;&#205;@   > 20 E1 ED CD 40 02 00 00 F0 03 EE CD 40 02 00 00 
{71} normal block at 0x00000240CDEDE210, 16 bytes long.
 Data: < &#234;aj&#246;           > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000240CDEDDB30, 16 bytes long.
 Data: <@&#233;aj&#246;           > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000240CDEDE2B0, 16 bytes long.
 Data: <&#248;W^j&#246;           > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000240CDEDD9F0, 16 bytes long.
 Data: <&#216;W^j&#246;           > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000240CDEDDAE0, 16 bytes long.
 Data: <P ^j&#246;           > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000240CDEDE5D0, 16 bytes long.
 Data: <0 ^j&#246;           > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000240CDEDDBD0, 16 bytes long.
 Data: <&#224; ^j&#246;           > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000240CDEDE580, 16 bytes long.
 Data: <  ^j&#246;           > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000240CDEDE0D0, 16 bytes long.
 Data: <p ^j&#246;           > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000240CDEDD950, 16 bytes long.
 Data: < &#192;\j&#246;           > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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