Task 38648963

Name test_689-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND7926_0
Workunit 31593641
Created 23 Oct 2026, 20:56:42 UTC
Sent 24 Oct 2026, 3:19:07 UTC
Report deadline 29 Oct 2026, 3:19:07 UTC
Received 24 Oct 2026, 4:58:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 23 min 2 sec
CPU time 17 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.45 MB
Peak swap size 6.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:35:51 (56504): wrapper (7.9.26016): starting
07:35:51 (56504): 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
07:35:52 (56504): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:35:52 (56504): 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\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 'C:\ProgramData\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
07:58:00 (56504): C:/Windows/system32/cmd.exe exited; CPU time 1064.875000
07:58:00 (56504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19254819 bytes.
Dumping objects ->
{3835555} normal block at 0x000001B6ED1DFAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001B6ED1DFFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001B6EB688420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001B6EB6882D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001B6EB688260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001B6ED22B8F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000001B6EB6AD460, 155 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) : {3835466} normal block at 0x000001B6EB681000, 8 bytes long.
 Data: <   &#235;&#182;   > 00 00 99 EB B6 01 00 00 
{3834693} normal block at 0x000001B6EB6ADA80, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001B6EB680A10, 8 bytes long.
 Data: <&#192;xh&#235;&#182;   > C0 78 68 EB B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B6EB6851E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B6EB6793B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B6EB6892C0, 16 bytes long.
 Data: <&#184;&#154;h&#235;&#182;           > B8 9A 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B6EB6889B0, 16 bytes long.
 Data: <&#144;&#154;h&#235;&#182;           > 90 9A 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B6EB683130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B6EB6891D0, 16 bytes long.
 Data: <h&#154;h&#235;&#182;           > 68 9A 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B6EB688870, 16 bytes long.
 Data: <@&#154;h&#235;&#182;           > 40 9A 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B6EB6896D0, 16 bytes long.
 Data: < &#154;h&#235;&#182;           > 18 9A 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B6EB688A00, 16 bytes long.
 Data: <&#240; h&#235;&#182;           > F0 99 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B6EB688110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B6EB6888C0, 16 bytes long.
 Data: <&#216;	g&#235;&#182;           > D8 09 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B6EB682B30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B6EB689680, 16 bytes long.
 Data: <&#176;	g&#235;&#182;           > B0 09 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B6EB689450, 16 bytes long.
 Data: < 	g&#235;&#182;           > 88 09 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B6EB689270, 16 bytes long.
 Data: <`	g&#235;&#182;           > 60 09 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B6EB689310, 16 bytes long.
 Data: <8	g&#235;&#182;           > 38 09 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B6EB688AF0, 16 bytes long.
 Data: < 	g&#235;&#182;           > 10 09 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B6EB6895E0, 16 bytes long.
 Data: <&#232; g&#235;&#182;           > E8 08 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B6EB682E30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B6EB689590, 16 bytes long.
 Data: <&#192; g&#235;&#182;           > C0 08 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B6EB6708C0, 320 bytes long.
 Data: <&#144;&#149;h&#235;&#182;   0.h&#235;&#182;   > 90 95 68 EB B6 01 00 00 30 2E 68 EB B6 01 00 00 
{276} normal block at 0x000001B6EB689220, 16 bytes long.
 Data: <&#208; h&#235;&#182;           > D0 99 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B6EB6893B0, 16 bytes long.
 Data: <&#168; h&#235;&#182;           > A8 99 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B6EB682FB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B6EB689400, 16 bytes long.
 Data: <&#128; h&#235;&#182;           > 80 99 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B6EB682590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B6EB688D20, 16 bytes long.
 Data: <&#200; h&#235;&#182;           > C8 98 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B6EB6890E0, 16 bytes long.
 Data: <&#160; h&#235;&#182;           > A0 98 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B6EB689090, 16 bytes long.
 Data: <x h&#235;&#182;           > 78 98 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B6EB688960, 16 bytes long.
 Data: <P h&#235;&#182;           > 50 98 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B6EB688FA0, 16 bytes long.
 Data: <( h&#235;&#182;           > 28 98 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B6EB688820, 16 bytes long.
 Data: <  h&#235;&#182;           > 00 98 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B6EB688D70, 16 bytes long.
 Data: <@&#131;h&#235;&#182;           > 40 83 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B6EB688340, 40 bytes long.
 Data: <p&#141;h&#235;&#182;   &#240;&#184;"&#237;&#182;   > 70 8D 68 EB B6 01 00 00 F0 B8 22 ED B6 01 00 00 
{262} normal block at 0x000001B6EB688DC0, 16 bytes long.
 Data: <&#224;&#151;h&#235;&#182;           > E0 97 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B6EB689040, 16 bytes long.
 Data: <&#184;&#151;h&#235;&#182;           > B8 97 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B6EB683250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B6EB6894A0, 16 bytes long.
 Data: <&#144;&#151;h&#235;&#182;           > 90 97 68 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B6EB689790, 992 bytes long.
 Data: <&#160;&#148;h&#235;&#182;   P2h&#235;&#182;   > A0 94 68 EB B6 01 00 00 50 32 68 EB B6 01 00 00 
{94} normal block at 0x000001B6EB682EF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B6EB6805B0, 16 bytes long.
 Data: <`&#205;g&#235;&#182;           > 60 CD 67 EB B6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B6EB67CD60, 40 bytes long.
 Data: <&#176; h&#235;&#182;   &#240;.h&#235;&#182;   > B0 05 68 EB B6 01 00 00 F0 2E 68 EB B6 01 00 00 
{71} normal block at 0x000001B6EB6802E0, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B6EB680B00, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B6EB6807E0, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B6EB680E70, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B6EB680BF0, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B6EB680740, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B6EB681050, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B6EB680AB0, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B6EB680D80, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B6EB680650, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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