Task 38669291

Name test_908-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7372_0
Workunit 31611657
Created 25 Oct 2026, 14:11:15 UTC
Sent 25 Oct 2026, 14:11:20 UTC
Report deadline 30 Oct 2026, 14:11:20 UTC
Received 25 Oct 2026, 16:10:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654625
Run time 28 min 46 sec
CPU time 27 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.30 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:41:37 (30756): wrapper (7.9.26016): starting
15:41:37 (30756): 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
15:41:38 (30756): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:41:38 (30756): 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:\Applications\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 'D:\Applications\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
16:08:53 (30756): C:/Windows/system32/cmd.exe exited; CPU time 1640.953125
16:08:53 (30756): 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: 32076039 bytes.
Dumping objects ->
{3835581} normal block at 0x0000018AD2A669C0, 48 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835570} normal block at 0x0000018AD2A66950, 48 bytes long.
 Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835559} normal block at 0x0000018AD2A668E0, 48 bytes long.
 Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69 
{3835548} normal block at 0x0000018AD2A66870, 48 bytes long.
 Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835537} normal block at 0x0000018AD2A66BF0, 48 bytes long.
 Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63 
{3835506} normal block at 0x0000018AD4989D10, 64 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x0000018AD2A61A90, 8 bytes long.
 Data: <  &#250;&#210;&#138;   > 00 00 FA D2 8A 01 00 00 
{3833963} normal block at 0x0000018AD2A611D0, 8 bytes long.
 Data: <&#224;&#205;&#168;&#210;&#138;   > E0 CD A8 D2 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018AD2A63540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018AD2A58580, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000018AD2A67AB0, 16 bytes long.
 Data: <&#248;&#130;&#166;&#210;&#138;           > F8 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018AD2A678D0, 16 bytes long.
 Data: <&#208;&#130;&#166;&#210;&#138;           > D0 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018AD2A5F940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000018AD2A677E0, 16 bytes long.
 Data: <&#168;&#130;&#166;&#210;&#138;           > A8 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018AD2A67A60, 16 bytes long.
 Data: < &#130;&#166;&#210;&#138;           > 80 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018AD2A67650, 16 bytes long.
 Data: <X&#130;&#166;&#210;&#138;           > 58 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018AD2A673D0, 16 bytes long.
 Data: <0&#130;&#166;&#210;&#138;           > 30 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018AD2A66D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000018AD2A675B0, 16 bytes long.
 Data: <&#184;&#241;&#164;&#210;&#138;           > B8 F1 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018AD2A5F460, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000018AD2A67920, 16 bytes long.
 Data: < &#241;&#164;&#210;&#138;           > 90 F1 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018AD2A67100, 16 bytes long.
 Data: <h&#241;&#164;&#210;&#138;           > 68 F1 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018AD2A67C90, 16 bytes long.
 Data: <@&#241;&#164;&#210;&#138;           > 40 F1 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018AD2A67290, 16 bytes long.
 Data: < &#241;&#164;&#210;&#138;           > 18 F1 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018AD2A67150, 16 bytes long.
 Data: <&#240;&#240;&#164;&#210;&#138;           > F0 F0 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018AD2A67B50, 16 bytes long.
 Data: <&#200;&#240;&#164;&#210;&#138;           > C8 F0 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018AD2A5F3A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000018AD2A67CE0, 16 bytes long.
 Data: <&#160;&#240;&#164;&#210;&#138;           > A0 F0 A4 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018AD2A4F0A0, 320 bytes long.
 Data: <&#224;|&#166;&#210;&#138;   &#160;&#243;&#165;&#210;&#138;   > E0 7C A6 D2 8A 01 00 00 A0 F3 A5 D2 8A 01 00 00 
{277} normal block at 0x0000018AD2A67BF0, 16 bytes long.
 Data: < &#130;&#166;&#210;&#138;           > 10 82 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018AD2A67740, 16 bytes long.
 Data: <&#232; &#166;&#210;&#138;           > E8 81 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018AD2A5FE20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000018AD2A67560, 16 bytes long.
 Data: <&#192; &#166;&#210;&#138;           > C0 81 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018AD2A5F220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000018AD2A67510, 16 bytes long.
 Data: <  &#166;&#210;&#138;           > 08 81 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018AD2A67E20, 16 bytes long.
 Data: <&#224; &#166;&#210;&#138;           > E0 80 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018AD2A67380, 16 bytes long.
 Data: <&#184; &#166;&#210;&#138;           > B8 80 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018AD2A67330, 16 bytes long.
 Data: <  &#166;&#210;&#138;           > 90 80 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018AD2A67A10, 16 bytes long.
 Data: <h &#166;&#210;&#138;           > 68 80 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018AD2A67880, 16 bytes long.
 Data: <@ &#166;&#210;&#138;           > 40 80 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018AD2A67970, 16 bytes long.
 Data: <0j&#166;&#210;&#138;           > 30 6A A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018AD2A66A30, 40 bytes long.
 Data: <py&#166;&#210;&#138;      &#212;&#138;   > 70 79 A6 D2 8A 01 00 00 10 9D 98 D4 8A 01 00 00 
{263} normal block at 0x0000018AD2A67DD0, 16 bytes long.
 Data: <  &#166;&#210;&#138;           > 20 80 A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018AD2A67830, 16 bytes long.
 Data: <&#248; &#166;&#210;&#138;           > F8 7F A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018AD2A5F4C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000018AD2A672E0, 16 bytes long.
 Data: <&#208; &#166;&#210;&#138;           > D0 7F A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018AD2A67FD0, 992 bytes long.
 Data: <&#224;r&#166;&#210;&#138;   &#192;&#244;&#165;&#210;&#138;   > E0 72 A6 D2 8A 01 00 00 C0 F4 A5 D2 8A 01 00 00 
{95} normal block at 0x0000018AD2A5EFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000018AD2A61040, 16 bytes long.
 Data: <  &#166;&#210;&#138;           > 00 0B A6 D2 8A 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000018AD2A60B00, 40 bytes long.
 Data: <@ &#166;&#210;&#138;   &#224;&#239;&#165;&#210;&#138;   > 40 10 A6 D2 8A 01 00 00 E0 EF A5 D2 8A 01 00 00 
{72} normal block at 0x0000018AD2A60C80, 16 bytes long.
 Data: < &#234;QB&#246;           > 80 EA 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018AD2A61180, 16 bytes long.
 Data: <@&#233;QB&#246;           > 40 E9 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018AD2A60E60, 16 bytes long.
 Data: <&#248;WNB&#246;           > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018AD2A61540, 16 bytes long.
 Data: <&#216;WNB&#246;           > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018AD2A61AE0, 16 bytes long.
 Data: <P NB&#246;           > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018AD2A61B80, 16 bytes long.
 Data: <0 NB&#246;           > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018AD2A616D0, 16 bytes long.
 Data: <&#224; NB&#246;           > E0 02 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018AD2A61310, 16 bytes long.
 Data: <  NB&#246;           > 10 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018AD2A60E10, 16 bytes long.
 Data: <p NB&#246;           > 70 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018AD2A61130, 16 bytes long.
 Data: < &#192;LB&#246;           > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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