Task 38654085

Name test_858-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND7155_2
Workunit 31597215
Created 24 Oct 2026, 6:41:52 UTC
Sent 24 Oct 2026, 6:44:31 UTC
Report deadline 29 Oct 2026, 6:44:31 UTC
Received 24 Oct 2026, 8:22:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 31 min 51 sec
CPU time 28 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.99 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:51:42 (16696): wrapper (7.9.26016): starting
09:51:42 (16696): 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
09:51:43 (16696): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:51:43 (16696): 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:\BoincData\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 'D:\BoincData\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
10:21:57 (16696): C:/Windows/system32/cmd.exe exited; CPU time 1692.046875
10:21:57 (16696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 24925719 bytes.
Dumping objects ->
{3835268} normal block at 0x000002766A130AE0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x000002766A305050, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x000002766A304390, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x000002766A304F30, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x000002766A3057D0, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x000002766A131170, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x000002766A2CDCF0, 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) : {3835179} normal block at 0x00000276686D66D0, 8 bytes long.
 Data: <   jv   > 00 00 14 6A 76 02 00 00 
{3834558} normal block at 0x000002766A2CDAE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000276686D6680, 8 bytes long.
 Data: <&#176;'$jv   > B0 27 24 6A 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000276686E1430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000276686C5EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000276686E2C90, 16 bytes long.
 Data: <(9nhv           > 28 39 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000276686E2420, 16 bytes long.
 Data: < 9nhv           > 00 39 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000276686DD180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000276686E2C40, 16 bytes long.
 Data: <&#216;8nhv           > D8 38 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000276686E23D0, 16 bytes long.
 Data: <&#176;8nhv           > B0 38 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000276686E2510, 16 bytes long.
 Data: < 8nhv           > 88 38 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000276686E2330, 16 bytes long.
 Data: <`8nhv           > 60 38 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000276686DB500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000276686E2BA0, 16 bytes long.
 Data: <X^lhv           > 58 5E 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000276686DD120, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000276686E3140, 16 bytes long.
 Data: <0^lhv           > 30 5E 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000276686E2B50, 16 bytes long.
 Data: < ^lhv           > 08 5E 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000276686E22E0, 16 bytes long.
 Data: <&#224;]lhv           > E0 5D 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000276686E30F0, 16 bytes long.
 Data: <&#184;]lhv           > B8 5D 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000276686E2BF0, 16 bytes long.
 Data: < ]lhv           > 90 5D 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000276686E2600, 16 bytes long.
 Data: <h]lhv           > 68 5D 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000276686DD540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000276686E2240, 16 bytes long.
 Data: <@]lhv           > 40 5D 6C 68 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000276686C5D40, 320 bytes long.
 Data: <@"nhv   @&#213;mhv   > 40 22 6E 68 76 02 00 00 40 D5 6D 68 76 02 00 00 
{271} normal block at 0x00000276686E25B0, 16 bytes long.
 Data: <@8nhv           > 40 38 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000276686E2970, 16 bytes long.
 Data: < 8nhv           > 18 38 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000276686DD660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000276686E26F0, 16 bytes long.
 Data: <&#240;7nhv           > F0 37 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000276686DDC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000276686E2A10, 16 bytes long.
 Data: <87nhv           > 38 37 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000276686E2880, 16 bytes long.
 Data: < 7nhv           > 10 37 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000276686E30A0, 16 bytes long.
 Data: <&#232;6nhv           > E8 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000276686E2790, 16 bytes long.
 Data: <&#192;6nhv           > C0 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000276686E2290, 16 bytes long.
 Data: < 6nhv           > 98 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000276686E3050, 16 bytes long.
 Data: <p6nhv           > 70 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000276686E24C0, 16 bytes long.
 Data: < &#180;mhv           > 90 B4 6D 68 76 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000276686DB490, 40 bytes long.
 Data: <&#192;$nhv   p  jv   > C0 24 6E 68 76 02 00 00 70 11 13 6A 76 02 00 00 
{257} normal block at 0x00000276686E2E70, 16 bytes long.
 Data: <P6nhv           > 50 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000276686E3190, 16 bytes long.
 Data: <(6nhv           > 28 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000276686DD7E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000276686E2B00, 16 bytes long.
 Data: < 6nhv           > 00 36 6E 68 76 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000276686E3600, 992 bytes long.
 Data: < +nhv   &#224;&#215;mhv   > 00 2B 6E 68 76 02 00 00 E0 D7 6D 68 76 02 00 00 
{89} normal block at 0x00000276686DD900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000276686D6900, 16 bytes long.
 Data: <&#208;&#185;mhv           > D0 B9 6D 68 76 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000276686DB9D0, 40 bytes long.
 Data: < imhv    &#217;mhv   > 00 69 6D 68 76 02 00 00 00 D9 6D 68 76 02 00 00 
{66} normal block at 0x00000276686D7080, 16 bytes long.
 Data: < &#234; &#214;&#246;           > 80 EA 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000276686D6B30, 16 bytes long.
 Data: <@&#233; &#214;&#246;           > 40 E9 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000276686D7030, 16 bytes long.
 Data: <&#248;W&#154;&#214;&#246;           > F8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000276686D7300, 16 bytes long.
 Data: <&#216;W&#154;&#214;&#246;           > D8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000276686D74E0, 16 bytes long.
 Data: <P &#154;&#214;&#246;           > 50 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000276686D7490, 16 bytes long.
 Data: <0 &#154;&#214;&#246;           > 30 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000276686D7440, 16 bytes long.
 Data: <&#224; &#154;&#214;&#246;           > E0 02 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000276686D6BD0, 16 bytes long.
 Data: <  &#154;&#214;&#246;           > 10 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000276686D68B0, 16 bytes long.
 Data: <p &#154;&#214;&#246;           > 70 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000276686D6A90, 16 bytes long.
 Data: < &#192; &#214;&#246;           > 18 C0 98 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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