Task 38683408

Name test_375-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8953_0
Workunit 31624968
Created 27 Oct 2026, 11:41:55 UTC
Sent 27 Oct 2026, 11:42:03 UTC
Report deadline 1 Nov 2026, 11:42:03 UTC
Received 27 Oct 2026, 12:07:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652862
Run time 19 min 52 sec
CPU time 18 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.05 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:48:09 (25816): wrapper (7.9.26016): starting
12:48:09 (25816): 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
12:48:10 (25816): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:48:10 (25816): 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\29\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\29\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
13:07:19 (25816): C:/Windows/system32/cmd.exe exited; CPU time 1111.406250
13:07:19 (25816): 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: 21308571 bytes.
Dumping objects ->
{3835578} normal block at 0x000001AFB66EB6D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x000001AFB66EB270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001AFB66EB900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835545} normal block at 0x000001AFB66EB510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x000001AFB66C49C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835503} normal block at 0x000001AFB8348FD0, 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) : {3835490} normal block at 0x000001AFB66BEDC0, 8 bytes long.
 Data: <  &#193;&#182;&#175;   > 00 00 C1 B6 AF 01 00 00 
{3833959} normal block at 0x000001AFB66BF130, 8 bytes long.
 Data: <&#176;&#227;%&#184;&#175;   > B0 E3 25 B8 AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001AFB66C11F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AFB66B67A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001AFB66C6150, 16 bytes long.
 Data: <hgl&#182;&#175;           > 68 67 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AFB66C5570, 16 bytes long.
 Data: <@gl&#182;&#175;           > 40 67 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AFB66BFB60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001AFB66C57A0, 16 bytes long.
 Data: < gl&#182;&#175;           > 18 67 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AFB66C5700, 16 bytes long.
 Data: <&#240;fl&#182;&#175;           > F0 66 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AFB66C5480, 16 bytes long.
 Data: <&#200;fl&#182;&#175;           > C8 66 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AFB66C5980, 16 bytes long.
 Data: <&#160;fl&#182;&#175;           > A0 66 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AFB66C4870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001AFB66C6380, 16 bytes long.
 Data: <&#248;&#238;j&#182;&#175;           > F8 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AFB66BF9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001AFB66C60B0, 16 bytes long.
 Data: <&#208;&#238;j&#182;&#175;           > D0 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AFB66C5CF0, 16 bytes long.
 Data: <&#168;&#238;j&#182;&#175;           > A8 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AFB66C63D0, 16 bytes long.
 Data: < &#238;j&#182;&#175;           > 80 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AFB66C6240, 16 bytes long.
 Data: <X&#238;j&#182;&#175;           > 58 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AFB66C5C50, 16 bytes long.
 Data: <0&#238;j&#182;&#175;           > 30 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AFB66C6100, 16 bytes long.
 Data: < &#238;j&#182;&#175;           > 08 EE 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AFB66C0160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001AFB66C5E80, 16 bytes long.
 Data: <&#224;&#237;j&#182;&#175;           > E0 ED 6A B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AFB66AEDE0, 320 bytes long.
 Data: < ^l&#182;&#175;   ` l&#182;&#175;   > 80 5E 6C B6 AF 01 00 00 60 01 6C B6 AF 01 00 00 
{275} normal block at 0x000001AFB66C56B0, 16 bytes long.
 Data: < fl&#182;&#175;           > 80 66 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AFB66C5660, 16 bytes long.
 Data: <Xfl&#182;&#175;           > 58 66 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AFB66C0100, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001AFB66C5C00, 16 bytes long.
 Data: <0fl&#182;&#175;           > 30 66 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AFB66BFD40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001AFB66C5BB0, 16 bytes long.
 Data: <xel&#182;&#175;           > 78 65 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AFB66C5610, 16 bytes long.
 Data: <Pel&#182;&#175;           > 50 65 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AFB66C5DE0, 16 bytes long.
 Data: <(el&#182;&#175;           > 28 65 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AFB66C5B60, 16 bytes long.
 Data: < el&#182;&#175;           > 00 65 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AFB66C5890, 16 bytes long.
 Data: <&#216;dl&#182;&#175;           > D8 64 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AFB66C6060, 16 bytes long.
 Data: <&#176;dl&#182;&#175;           > B0 64 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AFB66C5840, 16 bytes long.
 Data: <&#160;Jl&#182;&#175;           > A0 4A 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AFB66C4AA0, 40 bytes long.
 Data: <@Xl&#182;&#175;   &#208; 4&#184;&#175;   > 40 58 6C B6 AF 01 00 00 D0 8F 34 B8 AF 01 00 00 
{261} normal block at 0x000001AFB66C5F70, 16 bytes long.
 Data: < dl&#182;&#175;           > 90 64 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AFB66C5AC0, 16 bytes long.
 Data: <hdl&#182;&#175;           > 68 64 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AFB66C00A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001AFB66C5520, 16 bytes long.
 Data: <@dl&#182;&#175;           > 40 64 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AFB66C6440, 992 bytes long.
 Data: < Ul&#182;&#175;   &#160; l&#182;&#175;   > 20 55 6C B6 AF 01 00 00 A0 00 6C B6 AF 01 00 00 
{93} normal block at 0x000001AFB66C04C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001AFB66BF680, 16 bytes long.
 Data: < Kl&#182;&#175;           > 10 4B 6C B6 AF 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001AFB66C4B10, 40 bytes long.
 Data: < &#246;k&#182;&#175;   &#192; l&#182;&#175;   > 80 F6 6B B6 AF 01 00 00 C0 04 6C B6 AF 01 00 00 
{70} normal block at 0x000001AFB66BF540, 16 bytes long.
 Data: < &#234; &#145;&#246;           > 80 EA 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AFB66BF450, 16 bytes long.
 Data: <@&#233; &#145;&#246;           > 40 E9 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AFB66BE960, 16 bytes long.
 Data: <&#248;W &#145;&#246;           > F8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AFB66BEFF0, 16 bytes long.
 Data: <&#216;W &#145;&#246;           > D8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AFB66BF2C0, 16 bytes long.
 Data: <P  &#145;&#246;           > 50 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AFB66BEA50, 16 bytes long.
 Data: <0  &#145;&#246;           > 30 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AFB66BF360, 16 bytes long.
 Data: <&#224;  &#145;&#246;           > E0 02 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AFB66BF0E0, 16 bytes long.
 Data: <   &#145;&#246;           > 10 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AFB66BECD0, 16 bytes long.
 Data: <p  &#145;&#246;           > 70 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AFB66BEE60, 16 bytes long.
 Data: < &#192; &#145;&#246;           > 18 C0 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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