Task 38677532

Name test_953-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6838_0
Workunit 31619401
Created 26 Oct 2026, 14:37:36 UTC
Sent 26 Oct 2026, 14:37:43 UTC
Report deadline 31 Oct 2026, 14:37:43 UTC
Received 26 Oct 2026, 15:55:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653402
Run time 39 min 21 sec
CPU time 34 min 32 sec
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 678.59 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:17:11 (16072): wrapper (7.9.26016): starting
11:17:11 (16072): 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
11:17:13 (16072): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:17:13 (16072): 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:\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 'D:\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
11:54:45 (16072): C:/Windows/system32/cmd.exe exited; CPU time 2072.890625
11:54:45 (16072): 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: 44573371 bytes.
Dumping objects ->
{3835192} normal block at 0x000001F8C87A4C60, 48 bytes long.
 Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835181} normal block at 0x000001F8CA601580, 32 bytes long.
 Data: <HOME=D:\BOINC\DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835170} normal block at 0x000001F8CA601A00, 32 bytes long.
 Data: <TMP=D:\BOINC\DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835159} normal block at 0x000001F8CA6019A0, 32 bytes long.
 Data: <TEMP=D:\BOINC\DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835148} normal block at 0x000001F8CA601940, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x000001F8C87A48E0, 48 bytes long.
 Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000001F8C87A0B40, 8 bytes long.
 Data: <  &#205;&#200;&#248;   > 00 00 CD C8 F8 01 00 00 
{3833957} normal block at 0x000001F8C87A14F0, 8 bytes long.
 Data: < &#230;&#135;&#200;&#248;   > 10 E6 87 C8 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F8C8795EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F8C8798280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F8C87A5680, 16 bytes long.
 Data: <HTz&#200;&#248;           > 48 54 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F8C87A57C0, 16 bytes long.
 Data: < Tz&#200;&#248;           > 20 54 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F8C879F690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F8C87A58B0, 16 bytes long.
 Data: <&#248;Sz&#200;&#248;           > F8 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F8C87A55E0, 16 bytes long.
 Data: <&#208;Sz&#200;&#248;           > D0 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F8C87A6440, 16 bytes long.
 Data: <&#168;Sz&#200;&#248;           > A8 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F8C87A5900, 16 bytes long.
 Data: < Sz&#200;&#248;           > 80 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F8C87A49C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F8C87A5EA0, 16 bytes long.
 Data: <&#232; y&#200;&#248;           > E8 9D 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F8C87A02F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F8C87A6350, 16 bytes long.
 Data: <&#192; y&#200;&#248;           > C0 9D 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F8C87A6120, 16 bytes long.
 Data: <  y&#200;&#248;           > 98 9D 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F8C87A63F0, 16 bytes long.
 Data: <p y&#200;&#248;           > 70 9D 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F8C87A5C20, 16 bytes long.
 Data: <H y&#200;&#248;           > 48 9D 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F8C87A5B80, 16 bytes long.
 Data: <  y&#200;&#248;           > 20 9D 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F8C87A5A40, 16 bytes long.
 Data: <&#248;&#156;y&#200;&#248;           > F8 9C 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F8C879F750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F8C87A6080, 16 bytes long.
 Data: <&#208;&#156;y&#200;&#248;           > D0 9C 79 C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F8C8799CD0, 320 bytes long.
 Data: < `z&#200;&#248;   P&#247;y&#200;&#248;   > 80 60 7A C8 F8 01 00 00 50 F7 79 C8 F8 01 00 00 
{274} normal block at 0x000001F8C87A5630, 16 bytes long.
 Data: <`Sz&#200;&#248;           > 60 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F8C87A6030, 16 bytes long.
 Data: <8Sz&#200;&#248;           > 38 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F8C87A0230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F8C87A5E50, 16 bytes long.
 Data: < Sz&#200;&#248;           > 10 53 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F8C879FAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F8C87A5FE0, 16 bytes long.
 Data: <XRz&#200;&#248;           > 58 52 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F8C87A5F40, 16 bytes long.
 Data: <0Rz&#200;&#248;           > 30 52 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F8C87A60D0, 16 bytes long.
 Data: < Rz&#200;&#248;           > 08 52 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F8C87A6300, 16 bytes long.
 Data: <&#224;Qz&#200;&#248;           > E0 51 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F8C87A11D0, 16 bytes long.
 Data: <&#184;Qz&#200;&#248;           > B8 51 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F8C87A0DC0, 16 bytes long.
 Data: < Qz&#200;&#248;           > 90 51 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F8C87A0D20, 16 bytes long.
 Data: < Kz&#200;&#248;           > 80 4B 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F8C87A4B80, 40 bytes long.
 Data: <  z&#200;&#248;   &#224;Hz&#200;&#248;   > 20 0D 7A C8 F8 01 00 00 E0 48 7A C8 F8 01 00 00 
{260} normal block at 0x000001F8C87A0C80, 16 bytes long.
 Data: <pQz&#200;&#248;           > 70 51 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F8C87A0FA0, 16 bytes long.
 Data: <HQz&#200;&#248;           > 48 51 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F8C879FA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F8C87A14A0, 16 bytes long.
 Data: < Qz&#200;&#248;           > 20 51 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F8C87A5120, 992 bytes long.
 Data: <&#160; z&#200;&#248;   P&#250;y&#200;&#248;   > A0 14 7A C8 F8 01 00 00 50 FA 79 C8 F8 01 00 00 
{92} normal block at 0x000001F8C87A0290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F8C87A0690, 16 bytes long.
 Data: <@Fz&#200;&#248;           > 40 46 7A C8 F8 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F8C87A4640, 40 bytes long.
 Data: <  z&#200;&#248;     z&#200;&#248;   > 90 06 7A C8 F8 01 00 00 90 02 7A C8 F8 01 00 00 
{69} normal block at 0x000001F8C87A10E0, 16 bytes long.
 Data: < &#234;&#243;&#234;&#247;           > 80 EA F3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F8C87A0CD0, 16 bytes long.
 Data: <@&#233;&#243;&#234;&#247;           > 40 E9 F3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F8C87A0AF0, 16 bytes long.
 Data: <&#248;W&#240;&#234;&#247;           > F8 57 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F8C87A12C0, 16 bytes long.
 Data: <&#216;W&#240;&#234;&#247;           > D8 57 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F8C87A08C0, 16 bytes long.
 Data: <P &#240;&#234;&#247;           > 50 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F8C87A1130, 16 bytes long.
 Data: <0 &#240;&#234;&#247;           > 30 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F8C87A0960, 16 bytes long.
 Data: <&#224; &#240;&#234;&#247;           > E0 02 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F8C87A0A50, 16 bytes long.
 Data: <  &#240;&#234;&#247;           > 10 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F8C87A1270, 16 bytes long.
 Data: <p &#240;&#234;&#247;           > 70 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F8C87A1540, 16 bytes long.
 Data: < &#192;&#238;&#234;&#247;           > 18 C0 EE EA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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