Task 38669575

Name test_552-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND0621_0
Workunit 31611902
Created 25 Oct 2026, 14:59:55 UTC
Sent 25 Oct 2026, 14:59:58 UTC
Report deadline 30 Oct 2026, 14:59:58 UTC
Received 26 Oct 2026, 6:31:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613450
Run time 26 min 49 sec
CPU time 25 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.85 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:03:45 (12756): wrapper (7.9.26016): starting
00:03:45 (12756): 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
00:03:46 (12756): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:03:46 (12756): 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 'E:\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 'E:\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
00:29:51 (12756): C:/Windows/system32/cmd.exe exited; CPU time 1505.109375
00:29:51 (12756): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 28036085 bytes.
Dumping objects ->
{3835435} normal block at 0x000001CD65A55540, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835424} normal block at 0x000001CD67772DB0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835413} normal block at 0x000001CD67771850, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835402} normal block at 0x000001CD67772B10, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835391} normal block at 0x000001CD67771970, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835360} normal block at 0x000001CD65A554D0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835347} normal block at 0x000001CD65A4D7D0, 8 bytes long.
 Data: <  &#161;e&#205;   > 00 00 A1 65 CD 01 00 00 
{3833963} normal block at 0x000001CD65A4DE10, 8 bytes long.
 Data: <&#192;&#233;sg&#205;   > C0 E9 73 67 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001CD65A40CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001CD65A42AE0, 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 0x000001CD65A55FD0, 16 bytes long.
 Data: <(q&#165;e&#205;           > 28 71 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CD65A56C00, 16 bytes long.
 Data: < q&#165;e&#205;           > 00 71 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CD65A4FEA0, 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 0x000001CD65A568E0, 16 bytes long.
 Data: <&#216;p&#165;e&#205;           > D8 70 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CD65A56D40, 16 bytes long.
 Data: <&#176;p&#165;e&#205;           > B0 70 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CD65A56C50, 16 bytes long.
 Data: < p&#165;e&#205;           > 88 70 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CD65A56BB0, 16 bytes long.
 Data: <`p&#165;e&#205;           > 60 70 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CD65A55770, 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 0x000001CD65A56980, 16 bytes long.
 Data: < &#234;&#163;e&#205;           > 18 EA A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CD65A50440, 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 0x000001CD65A56840, 16 bytes long.
 Data: <&#240;&#233;&#163;e&#205;           > F0 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CD65A55F80, 16 bytes long.
 Data: <&#200;&#233;&#163;e&#205;           > C8 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CD65A561B0, 16 bytes long.
 Data: <&#160;&#233;&#163;e&#205;           > A0 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CD65A566B0, 16 bytes long.
 Data: <x&#233;&#163;e&#205;           > 78 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CD65A55E90, 16 bytes long.
 Data: <P&#233;&#163;e&#205;           > 50 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CD65A56520, 16 bytes long.
 Data: <(&#233;&#163;e&#205;           > 28 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CD65A50380, 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 0x000001CD65A56110, 16 bytes long.
 Data: < &#233;&#163;e&#205;           > 00 E9 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD65A3E900, 320 bytes long.
 Data: < a&#165;e&#205;     &#165;e&#205;   > 10 61 A5 65 CD 01 00 00 80 03 A5 65 CD 01 00 00 
{277} normal block at 0x000001CD65A56430, 16 bytes long.
 Data: <@p&#165;e&#205;           > 40 70 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CD65A56480, 16 bytes long.
 Data: < p&#165;e&#205;           > 18 70 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CD65A4FD80, 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 0x000001CD65A55F30, 16 bytes long.
 Data: <&#240;o&#165;e&#205;           > F0 6F A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CD65A4FD20, 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 0x000001CD65A56070, 16 bytes long.
 Data: <8o&#165;e&#205;           > 38 6F A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CD65A56750, 16 bytes long.
 Data: < o&#165;e&#205;           > 10 6F A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD65A56AC0, 16 bytes long.
 Data: <&#232;n&#165;e&#205;           > E8 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CD65A56930, 16 bytes long.
 Data: <&#192;n&#165;e&#205;           > C0 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CD65A564D0, 16 bytes long.
 Data: < n&#165;e&#205;           > 98 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CD65A567A0, 16 bytes long.
 Data: <pn&#165;e&#205;           > 70 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CD65A56B60, 16 bytes long.
 Data: <0Y&#165;e&#205;           > 30 59 A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CD65A55930, 40 bytes long.
 Data: <`k&#165;e&#205;   &#208;T&#165;e&#205;   > 60 6B A5 65 CD 01 00 00 D0 54 A5 65 CD 01 00 00 
{263} normal block at 0x000001CD65A56A70, 16 bytes long.
 Data: <Pn&#165;e&#205;           > 50 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CD65A56700, 16 bytes long.
 Data: <(n&#165;e&#205;           > 28 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CD65A50920, 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 0x000001CD65A56160, 16 bytes long.
 Data: < n&#165;e&#205;           > 00 6E A5 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CD65A56E00, 992 bytes long.
 Data: <`a&#165;e&#205;    	&#165;e&#205;   > 60 61 A5 65 CD 01 00 00 20 09 A5 65 CD 01 00 00 
{95} normal block at 0x000001CD65A4FFC0, 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 0x000001CD65A4DFF0, 16 bytes long.
 Data: <`&#197;&#163;e&#205;           > 60 C5 A3 65 CD 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001CD65A3C560, 40 bytes long.
 Data: <&#240;&#223;&#164;e&#205;   &#192;&#255;&#164;e&#205;   > F0 DF A4 65 CD 01 00 00 C0 FF A4 65 CD 01 00 00 
{72} normal block at 0x000001CD65A4DA00, 16 bytes long.
 Data: < &#234;%c&#246;           > 80 EA 25 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CD65A4E450, 16 bytes long.
 Data: <@&#233;%c&#246;           > 40 E9 25 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CD65A4DCD0, 16 bytes long.
 Data: <&#248;W"c&#246;           > F8 57 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CD65A4E040, 16 bytes long.
 Data: <&#216;W"c&#246;           > D8 57 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CD65A4DEB0, 16 bytes long.
 Data: <P "c&#246;           > 50 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CD65A4D960, 16 bytes long.
 Data: <0 "c&#246;           > 30 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CD65A4DF00, 16 bytes long.
 Data: <&#224; "c&#246;           > E0 02 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CD65A4E220, 16 bytes long.
 Data: <  "c&#246;           > 10 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CD65A4E540, 16 bytes long.
 Data: <p "c&#246;           > 70 04 22 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CD65A4E3B0, 16 bytes long.
 Data: < &#192; c&#246;           > 18 C0 20 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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