Task 38687728

Name test_888-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3442_0
Workunit 31629109
Created 28 Oct 2026, 9:26:32 UTC
Sent 28 Oct 2026, 9:26:35 UTC
Report deadline 2 Nov 2026, 9:26:35 UTC
Received 28 Oct 2026, 13:06:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 53 min 41 sec
CPU time 47 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.46 MB
Peak swap size 8.42 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:14:38 (30564): wrapper (7.9.26016): starting
05:14:38 (30564): 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
05:14:41 (30564): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:14:41 (30564): 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\0\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\0\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
06:05:47 (30564): C:/Windows/system32/cmd.exe exited; CPU time 2868.218750
06:05:47 (30564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 59028295 bytes.
Dumping objects ->
{3835458} normal block at 0x0000018411F1C7C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000018411F1C440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x0000018411F1CAD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x0000018411EF6150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x0000018411EF60E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x0000018413C7ED70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000018413CE04F0, 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) : {3835369} normal block at 0x0000018411EEEA60, 8 bytes long.
 Data: <  Q &#132;   > 00 00 51 12 84 01 00 00 
{3834654} normal block at 0x0000018413CDF7E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000018411EEF4B0, 8 bytes long.
 Data: <&#192;P&#243; &#132;   > C0 50 F3 11 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018411EF24E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018411EDFD30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000018411EF6E10, 16 bytes long.
 Data: <H|&#239; &#132;           > 48 7C EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018411EF6D70, 16 bytes long.
 Data: < |&#239; &#132;           > 20 7C EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018411EF0C70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000018411EF6A50, 16 bytes long.
 Data: <&#248;{&#239; &#132;           > F8 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018411EF7680, 16 bytes long.
 Data: <&#208;{&#239; &#132;           > D0 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018411EF76D0, 16 bytes long.
 Data: <&#168;{&#239; &#132;           > A8 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018411EF75E0, 16 bytes long.
 Data: < {&#239; &#132;           > 80 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018411EF62A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000018411EF7040, 16 bytes long.
 Data: <H&#165;&#238; &#132;           > 48 A5 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018411EF1390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000018411EF6BE0, 16 bytes long.
 Data: < &#165;&#238; &#132;           > 20 A5 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018411EF6A00, 16 bytes long.
 Data: <&#248;&#164;&#238; &#132;           > F8 A4 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018411EF6CD0, 16 bytes long.
 Data: <&#208;&#164;&#238; &#132;           > D0 A4 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018411EF6FF0, 16 bytes long.
 Data: <&#168;&#164;&#238; &#132;           > A8 A4 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018411EF6FA0, 16 bytes long.
 Data: < &#164;&#238; &#132;           > 80 A4 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018411EF6C80, 16 bytes long.
 Data: <X&#164;&#238; &#132;           > 58 A4 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018411EF1270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000018411EF6EB0, 16 bytes long.
 Data: <0&#164;&#238; &#132;           > 30 A4 EE 11 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018411EEA430, 320 bytes long.
 Data: <&#176;n&#239; &#132;   p &#239; &#132;   > B0 6E EF 11 84 01 00 00 70 12 EF 11 84 01 00 00 
{278} normal block at 0x0000018411EF6D20, 16 bytes long.
 Data: <`{&#239; &#132;           > 60 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018411EF7130, 16 bytes long.
 Data: <8{&#239; &#132;           > 38 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018411EF1210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000018411EF72C0, 16 bytes long.
 Data: < {&#239; &#132;           > 10 7B EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018411EF0FD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000018411EF6F50, 16 bytes long.
 Data: <Xz&#239; &#132;           > 58 7A EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018411EF71D0, 16 bytes long.
 Data: <0z&#239; &#132;           > 30 7A EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018411EF74A0, 16 bytes long.
 Data: < z&#239; &#132;           > 08 7A EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018411EF6F00, 16 bytes long.
 Data: <&#224;y&#239; &#132;           > E0 79 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018411EF7860, 16 bytes long.
 Data: <&#184;y&#239; &#132;           > B8 79 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018411EF6B90, 16 bytes long.
 Data: < y&#239; &#132;           > 90 79 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018411EF6960, 16 bytes long.
 Data: <0b&#239; &#132;           > 30 62 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018411EF6230, 40 bytes long.
 Data: <`i&#239; &#132;   p&#237;&#199; &#132;   > 60 69 EF 11 84 01 00 00 70 ED C7 13 84 01 00 00 
{264} normal block at 0x0000018411EF7630, 16 bytes long.
 Data: <py&#239; &#132;           > 70 79 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018411EF6DC0, 16 bytes long.
 Data: <Hy&#239; &#132;           > 48 79 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018411EF0970, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000018411EF7360, 16 bytes long.
 Data: < y&#239; &#132;           > 20 79 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018411EF7920, 992 bytes long.
 Data: <`s&#239; &#132;   p	&#239; &#132;   > 60 73 EF 11 84 01 00 00 70 09 EF 11 84 01 00 00 
{96} normal block at 0x0000018411EF1030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000018411EEE880, 16 bytes long.
 Data: <&#192;a&#239; &#132;           > C0 61 EF 11 84 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000018411EF61C0, 40 bytes long.
 Data: < &#232;&#238; &#132;   0 &#239; &#132;   > 80 E8 EE 11 84 01 00 00 30 10 EF 11 84 01 00 00 
{73} normal block at 0x0000018411EEF140, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018411EEE920, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018411EEEB00, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018411EEEBA0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018411EEF280, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018411EEF410, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018411EEF0F0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018411EEEF10, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018411EEE9C0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018411EEE6F0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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