Task 38647077

Name test_566-GPUGRID_TEST_ATM_1000_20261023-0-1-RND6243_2
Workunit 31591403
Created 23 Oct 2026, 18:46:51 UTC
Sent 23 Oct 2026, 18:46:56 UTC
Report deadline 28 Oct 2026, 18:46:56 UTC
Received 23 Oct 2026, 22:28:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 543341
Run time 54 min 50 sec
CPU time 52 min 49 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 4,458.00 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.70 MB
Peak swap size 12.75 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:25:45 (3860): wrapper (7.9.26016): starting
23:25:45 (3860): 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
23:25:46 (3860): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:25:46 (3860): 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\33\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\33\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
00:19:27 (3860): C:/Windows/system32/cmd.exe exited; CPU time 3169.828125
00:19:27 (3860): 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: 48839943 bytes.
Dumping objects ->
{3835302} normal block at 0x000002A781135210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x000002A7811351A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000002A781135DE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835269} normal block at 0x000002A7811356E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000002A781135E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835227} normal block at 0x000002A782DBB380, 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) : {3835214} normal block at 0x000002A781106040, 8 bytes long.
 Data: <    &#167;   > 00 00 0D 81 A7 02 00 00 
{3833947} normal block at 0x000002A781105820, 8 bytes long.
 Data: <0&#208;&#209;&#130;&#167;   > 30 D0 D1 82 A7 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002A781110BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A7810F5D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000002A781112760, 16 bytes long.
 Data: < .  &#167;           > 88 2E 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A7811126C0, 16 bytes long.
 Data: <`.  &#167;           > 60 2E 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A78110BD40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000002A781112490, 16 bytes long.
 Data: <8.  &#167;           > 38 2E 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A7811124E0, 16 bytes long.
 Data: < .  &#167;           > 10 2E 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A781112580, 16 bytes long.
 Data: <&#232;-  &#167;           > E8 2D 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A781111F90, 16 bytes long.
 Data: <&#192;-  &#167;           > C0 2D 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A78110A440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000002A781111A90, 16 bytes long.
 Data: < \  &#167;           > 98 5C 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A78110C400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000002A781111A40, 16 bytes long.
 Data: <p\  &#167;           > 70 5C 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A781112440, 16 bytes long.
 Data: <H\  &#167;           > 48 5C 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A7811123F0, 16 bytes long.
 Data: < \  &#167;           > 20 5C 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A781111D10, 16 bytes long.
 Data: <&#248;[  &#167;           > F8 5B 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A781111E00, 16 bytes long.
 Data: <&#208;[  &#167;           > D0 5B 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A781111F40, 16 bytes long.
 Data: <&#168;[  &#167;           > A8 5B 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A78110C580, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{271} normal block at 0x000002A781112210, 16 bytes long.
 Data: < [  &#167;           > 80 5B 0F 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A7810F5B80, 320 bytes long.
 Data: < "  &#167;    &#197;  &#167;   > 10 22 11 81 A7 02 00 00 80 C5 10 81 A7 02 00 00 
{269} normal block at 0x000002A7811121C0, 16 bytes long.
 Data: <&#160;-  &#167;           > A0 2D 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A781112710, 16 bytes long.
 Data: <x-  &#167;           > 78 2D 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A78110BE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000002A7811125D0, 16 bytes long.
 Data: <P-  &#167;           > 50 2D 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A78110C0A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000002A781111EF0, 16 bytes long.
 Data: < ,  &#167;           > 98 2C 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A781111E50, 16 bytes long.
 Data: <p,  &#167;           > 70 2C 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A781112350, 16 bytes long.
 Data: <H,  &#167;           > 48 2C 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A781112620, 16 bytes long.
 Data: < ,  &#167;           > 20 2C 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A781111EA0, 16 bytes long.
 Data: <&#248;+  &#167;           > F8 2B 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A781112170, 16 bytes long.
 Data: <&#208;+  &#167;           > D0 2B 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A781112530, 16 bytes long.
 Data: <`&#163;  &#167;           > 60 A3 10 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A78110A360, 40 bytes long.
 Data: <0%  &#167;    &#179;&#219;&#130;&#167;   > 30 25 11 81 A7 02 00 00 80 B3 DB 82 A7 02 00 00 
{255} normal block at 0x000002A7811120D0, 16 bytes long.
 Data: <&#176;+  &#167;           > B0 2B 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A781112300, 16 bytes long.
 Data: < +  &#167;           > 88 2B 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A78110B6E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002A7811122B0, 16 bytes long.
 Data: <`+  &#167;           > 60 2B 11 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002A781112B60, 992 bytes long.
 Data: <&#176;"  &#167;   &#224;&#182;  &#167;   > B0 22 11 81 A7 02 00 00 E0 B6 10 81 A7 02 00 00 
{87} normal block at 0x000002A78110BF80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002A781105E60, 16 bytes long.
 Data: <p&#166;  &#167;           > 70 A6 10 81 A7 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002A78110A670, 40 bytes long.
 Data: <`^  &#167;    &#191;  &#167;   > 60 5E 10 81 A7 02 00 00 80 BF 10 81 A7 02 00 00 
{64} normal block at 0x000002A781105780, 16 bytes long.
 Data: < &#234; &#249;&#246;           > 80 EA 1F F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A781105A50, 16 bytes long.
 Data: <@&#233; &#249;&#246;           > 40 E9 1F F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A781105730, 16 bytes long.
 Data: <&#248;W &#249;&#246;           > F8 57 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A7811056E0, 16 bytes long.
 Data: <&#216;W &#249;&#246;           > D8 57 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A781105690, 16 bytes long.
 Data: <P  &#249;&#246;           > 50 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A781105640, 16 bytes long.
 Data: <0  &#249;&#246;           > 30 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A781105A00, 16 bytes long.
 Data: <&#224;  &#249;&#246;           > E0 02 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A7811055F0, 16 bytes long.
 Data: <   &#249;&#246;           > 10 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A781105F50, 16 bytes long.
 Data: <p  &#249;&#246;           > 70 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A7811055A0, 16 bytes long.
 Data: < &#192; &#249;&#246;           > 18 C0 1A F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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