Task 38678881

Name test_31-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6856_0
Workunit 31620685
Created 26 Oct 2026, 18:47:58 UTC
Sent 26 Oct 2026, 18:48:03 UTC
Report deadline 31 Oct 2026, 18:48:03 UTC
Received 26 Oct 2026, 19:36:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 45 min 41 sec
CPU time 41 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.97 MB
Peak swap size 6.89 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:51:39 (29888): wrapper (7.9.26016): starting
13:51:39 (29888): 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
13:51:50 (29888): Library/usr/bin/tar.exe exited; CPU time 0.062500
13:51:50 (29888): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
14:34:57 (29888): C:/Windows/system32/cmd.exe exited; CPU time 2460.062500
14:34:57 (29888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 55100550 bytes.
Dumping objects ->
{3835291} normal block at 0x00000231CE2611E0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835280} normal block at 0x00000231CE4161F0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835269} normal block at 0x00000231CE416250, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835258} normal block at 0x00000231CE416550, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835247} normal block at 0x00000231CE416310, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x00000231CE260920, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835205} normal block at 0x00000231CE466FA0, 85 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) : {3835202} normal block at 0x00000231CC8779A0, 8 bytes long.
 Data: <   &#204;1   > 00 00 81 CC 31 02 00 00 
{3834574} normal block at 0x00000231CE466320, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000231CC8778B0, 8 bytes long.
 Data: < xF&#206;1   > 00 78 46 CE 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000231CC880AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000231CC8660D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000231CC882600, 16 bytes long.
 Data: <&#216;? &#204;1           > D8 3F 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000231CC882290, 16 bytes long.
 Data: <&#176;? &#204;1           > B0 3F 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000231CC87C060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000231CC882240, 16 bytes long.
 Data: < ? &#204;1           > 88 3F 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000231CC8821F0, 16 bytes long.
 Data: <`? &#204;1           > 60 3F 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000231CC882010, 16 bytes long.
 Data: <8? &#204;1           > 38 3F 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000231CC881FC0, 16 bytes long.
 Data: < ? &#204;1           > 10 3F 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000231CC87D7B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000231CC882150, 16 bytes long.
 Data: <h`&#134;&#204;1           > 68 60 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000231CC87BB20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000231CC881D40, 16 bytes long.
 Data: <@`&#134;&#204;1           > 40 60 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000231CC882740, 16 bytes long.
 Data: < `&#134;&#204;1           > 18 60 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000231CC8825B0, 16 bytes long.
 Data: <&#240;_&#134;&#204;1           > F0 5F 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000231CC882380, 16 bytes long.
 Data: <&#200;_&#134;&#204;1           > C8 5F 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000231CC8820B0, 16 bytes long.
 Data: <&#160;_&#134;&#204;1           > A0 5F 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000231CC881F70, 16 bytes long.
 Data: <x_&#134;&#204;1           > 78 5F 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000231CC87C5A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000231CC8822E0, 16 bytes long.
 Data: <P_&#134;&#204;1           > 50 5F 86 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000231CC865F50, 320 bytes long.
 Data: <&#224;" &#204;1   &#160;&#197;&#135;&#204;1   > E0 22 88 CC 31 02 00 00 A0 C5 87 CC 31 02 00 00 
{278} normal block at 0x00000231CC881F20, 16 bytes long.
 Data: <&#240;> &#204;1           > F0 3E 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000231CC8818E0, 16 bytes long.
 Data: <&#200;> &#204;1           > C8 3E 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000231CC87BA60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000231CC881A20, 16 bytes long.
 Data: <&#160;> &#204;1           > A0 3E 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000231CC87BA00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000231CC881E80, 16 bytes long.
 Data: <&#232;= &#204;1           > E8 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000231CC882830, 16 bytes long.
 Data: <&#192;= &#204;1           > C0 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000231CC881D90, 16 bytes long.
 Data: < = &#204;1           > 98 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000231CC881AC0, 16 bytes long.
 Data: <p= &#204;1           > 70 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000231CC882100, 16 bytes long.
 Data: <H= &#204;1           > 48 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000231CC882510, 16 bytes long.
 Data: < = &#204;1           > 20 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000231CC881CF0, 16 bytes long.
 Data: <`&#214;&#135;&#204;1           > 60 D6 87 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000231CC87D660, 40 bytes long.
 Data: <&#240;  &#204;1    	&&#206;1   > F0 1C 88 CC 31 02 00 00 20 09 26 CE 31 02 00 00 
{264} normal block at 0x00000231CC8827E0, 16 bytes long.
 Data: < = &#204;1           > 00 3D 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000231CC881E30, 16 bytes long.
 Data: <&#216;< &#204;1           > D8 3C 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000231CC87B940, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000231CC881ED0, 16 bytes long.
 Data: <&#176;< &#204;1           > B0 3C 88 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000231CC883CB0, 992 bytes long.
 Data: <&#208;  &#204;1   @&#185;&#135;&#204;1   > D0 1E 88 CC 31 02 00 00 40 B9 87 CC 31 02 00 00 
{96} normal block at 0x00000231CC87BE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000231CC877950, 16 bytes long.
 Data: <&#160;&#219;&#135;&#204;1           > A0 DB 87 CC 31 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000231CC87DBA0, 40 bytes long.
 Data: <Py&#135;&#204;1    &#190;&#135;&#204;1   > 50 79 87 CC 31 02 00 00 20 BE 87 CC 31 02 00 00 
{73} normal block at 0x00000231CC876F50, 16 bytes long.
 Data: < &#234;&#210;&#150;&#246;           > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000231CC8770E0, 16 bytes long.
 Data: <@&#233;&#210;&#150;&#246;           > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000231CC876CD0, 16 bytes long.
 Data: <&#248;W&#207;&#150;&#246;           > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000231CC876C80, 16 bytes long.
 Data: <&#216;W&#207;&#150;&#246;           > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000231CC876EB0, 16 bytes long.
 Data: <P &#207;&#150;&#246;           > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000231CC8773B0, 16 bytes long.
 Data: <0 &#207;&#150;&#246;           > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000231CC877090, 16 bytes long.
 Data: <&#224; &#207;&#150;&#246;           > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000231CC876C30, 16 bytes long.
 Data: <  &#207;&#150;&#246;           > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000231CC876A50, 16 bytes long.
 Data: <p &#207;&#150;&#246;           > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000231CC877180, 16 bytes long.
 Data: < &#192;&#205;&#150;&#246;           > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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