Task 38697466

Name test_670-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6236_1
Workunit 31638035
Created 1 Nov 2026, 15:11:49 UTC
Sent 1 Nov 2026, 15:11:55 UTC
Report deadline 6 Nov 2026, 15:11:55 UTC
Received 1 Nov 2026, 16:01:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651589
Run time 48 min
CPU time 39 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,674.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.61 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:13:38 (32972): wrapper (7.9.26016): starting
16:13:38 (32972): 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
16:13:39 (32972): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:13:39 (32972): 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:\BOINC\Data\slots\3\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:\BOINC\Data\slots\3\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
17:00:39 (32972): C:/Windows/system32/cmd.exe exited; CPU time 2351.765625
17:00:39 (32972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 56221003 bytes.
Dumping objects ->
{3835227} normal block at 0x000002280C814D80, 48 bytes long.
 Data: <PATH=D:\BOINC\Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61 
{3835216} normal block at 0x000002280E3D3A30, 32 bytes long.
 Data: <HOME=D:\BOINC\Da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61 
{3835205} normal block at 0x000002280E3D3B50, 32 bytes long.
 Data: <TMP=D:\BOINC\Dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61 74 
{3835194} normal block at 0x000002280E3D4810, 32 bytes long.
 Data: <TEMP=D:\BOINC\Da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61 
{3835183} normal block at 0x000002280E3D3970, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835152} normal block at 0x000002280C814D10, 48 bytes long.
 Data: <PATH=D:\BOINC\Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61 
{3835141} normal block at 0x000002280C86E4E0, 140 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) : {3835138} normal block at 0x000002280C80D820, 8 bytes long.
 Data: <  &#179; (   > 00 00 B3 0C 28 02 00 00 
{3834542} normal block at 0x000002280C86DBF0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002280C80D410, 8 bytes long.
 Data: <&#160;9A (   > A0 39 41 0E 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002280C8116E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002280C805E90, 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 0x000002280C8154B0, 16 bytes long.
 Data: <8c  (           > 38 63 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002280C815050, 16 bytes long.
 Data: < c  (           > 10 63 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002280C80EBD0, 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 0x000002280C815B90, 16 bytes long.
 Data: <&#232;b  (           > E8 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002280C815F50, 16 bytes long.
 Data: <&#192;b  (           > C0 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002280C815820, 16 bytes long.
 Data: < b  (           > 98 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002280C815780, 16 bytes long.
 Data: <pb  (           > 70 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002280C814DF0, 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 0x000002280C815C30, 16 bytes long.
 Data: <&#200;&#231;  (           > C8 E7 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002280C80F710, 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 0x000002280C8155F0, 16 bytes long.
 Data: <&#160;&#231;  (           > A0 E7 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002280C815AF0, 16 bytes long.
 Data: <x&#231;  (           > 78 E7 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002280C815AA0, 16 bytes long.
 Data: <P&#231;  (           > 50 E7 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002280C8156E0, 16 bytes long.
 Data: <(&#231;  (           > 28 E7 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002280C815B40, 16 bytes long.
 Data: < &#231;  (           > 00 E7 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002280C815EB0, 16 bytes long.
 Data: <&#216;&#230;  (           > D8 E6 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002280C80F530, 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 0x000002280C815E60, 16 bytes long.
 Data: <&#176;&#230;  (           > B0 E6 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002280C7FE6B0, 320 bytes long.
 Data: <`^  (   0&#245;  (   > 60 5E 81 0C 28 02 00 00 30 F5 80 0C 28 02 00 00 
{276} normal block at 0x000002280C8152D0, 16 bytes long.
 Data: <Pb  (           > 50 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002280C815230, 16 bytes long.
 Data: <(b  (           > 28 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002280C80EC30, 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 0x000002280C815690, 16 bytes long.
 Data: < b  (           > 00 62 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002280C80F650, 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 0x000002280C8151E0, 16 bytes long.
 Data: <Ha  (           > 48 61 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002280C815730, 16 bytes long.
 Data: < a  (           > 20 61 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002280C815A50, 16 bytes long.
 Data: <&#248;`  (           > F8 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002280C815E10, 16 bytes long.
 Data: <&#208;`  (           > D0 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002280C815190, 16 bytes long.
 Data: <&#168;`  (           > A8 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002280C815DC0, 16 bytes long.
 Data: < `  (           > 80 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002280C8157D0, 16 bytes long.
 Data: <&#192;K  (           > C0 4B 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002280C814BC0, 40 bytes long.
 Data: <&#208;W  (    M  (   > D0 57 81 0C 28 02 00 00 10 4D 81 0C 28 02 00 00 
{262} normal block at 0x000002280C815640, 16 bytes long.
 Data: <``  (           > 60 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002280C815FA0, 16 bytes long.
 Data: <8`  (           > 38 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002280C80F470, 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 0x000002280C815D70, 16 bytes long.
 Data: < `  (           > 10 60 81 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002280C816010, 992 bytes long.
 Data: <p]  (   p&#244;  (   > 70 5D 81 0C 28 02 00 00 70 F4 80 0C 28 02 00 00 
{94} normal block at 0x000002280C80F4D0, 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 0x000002280C80D0F0, 16 bytes long.
 Data: <0&#214;  (           > 30 D6 7F 0C 28 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002280C7FD630, 40 bytes long.
 Data: <&#240;&#208;  (   &#208;&#244;  (   > F0 D0 80 0C 28 02 00 00 D0 F4 80 0C 28 02 00 00 
{71} normal block at 0x000002280C80D190, 16 bytes long.
 Data: < &#234;&#158;J&#246;           > 80 EA 9E 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002280C80CB00, 16 bytes long.
 Data: <@&#233;&#158;J&#246;           > 40 E9 9E 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002280C80D320, 16 bytes long.
 Data: <&#248;W&#155;J&#246;           > F8 57 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002280C80D960, 16 bytes long.
 Data: <&#216;W&#155;J&#246;           > D8 57 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002280C80CAB0, 16 bytes long.
 Data: <P &#155;J&#246;           > 50 04 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002280C80D460, 16 bytes long.
 Data: <0 &#155;J&#246;           > 30 04 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002280C80D690, 16 bytes long.
 Data: <&#224; &#155;J&#246;           > E0 02 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002280C80D050, 16 bytes long.
 Data: <  &#155;J&#246;           > 10 04 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002280C80CC40, 16 bytes long.
 Data: <p &#155;J&#246;           > 70 04 9B 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002280C80D0A0, 16 bytes long.
 Data: < &#192; J&#246;           > 18 C0 99 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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