Task 38677092

Name test_647-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND9540_0
Workunit 31618975
Created 26 Oct 2026, 13:16:55 UTC
Sent 26 Oct 2026, 13:17:03 UTC
Report deadline 31 Oct 2026, 13:17:03 UTC
Received 26 Oct 2026, 14:59:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 32 min 51 sec
CPU time 32 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.09 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:26:37 (19604): wrapper (7.9.26016): starting
09:26:37 (19604): 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
09:26:38 (19604): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:26:38 (19604): 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
09:59:00 (19604): C:/Windows/system32/cmd.exe exited; CPU time 1936.687500
09:59:00 (19604): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 29429159 bytes.
Dumping objects ->
{3835546} normal block at 0x0000019ED3A2E7B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000019ED1DC63A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000019ED1DC6560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000019ED1DC62C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000019ED1DC6250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000019ED3A77750, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000019ED3A8FEE0, 102 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) : {3835457} normal block at 0x0000019ED1DC0870, 8 bytes long.
 Data: <  &#216;&#209;&#158;   > 00 00 D8 D1 9E 01 00 00 
{3834682} normal block at 0x0000019ED3A90300, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000019ED1DC05A0, 8 bytes long.
 Data: <&#224;X&#220;&#209;&#158;   > E0 58 DC D1 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000019ED1DC2020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019ED1DB7F80, 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 0x0000019ED1DC7410, 16 bytes long.
 Data: < {&#220;&#209;&#158;           > 18 7B DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019ED1DC6970, 16 bytes long.
 Data: <&#240;z&#220;&#209;&#158;           > F0 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019ED1DC1EB0, 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 0x0000019ED1DC6B00, 16 bytes long.
 Data: <&#200;z&#220;&#209;&#158;           > C8 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019ED1DC6BA0, 16 bytes long.
 Data: <&#160;z&#220;&#209;&#158;           > A0 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019ED1DC76E0, 16 bytes long.
 Data: <xz&#220;&#209;&#158;           > 78 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019ED1DC75A0, 16 bytes long.
 Data: <Pz&#220;&#209;&#158;           > 50 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019ED1DC65D0, 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 0x0000019ED1DC7140, 16 bytes long.
 Data: <&#200; &#219;&#209;&#158;           > C8 04 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019ED1DC1310, 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 0x0000019ED1DC73C0, 16 bytes long.
 Data: <&#160; &#219;&#209;&#158;           > A0 04 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019ED1DC68D0, 16 bytes long.
 Data: <x &#219;&#209;&#158;           > 78 04 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019ED1DC7460, 16 bytes long.
 Data: <P &#219;&#209;&#158;           > 50 04 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019ED1DC6AB0, 16 bytes long.
 Data: <( &#219;&#209;&#158;           > 28 04 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019ED1DC6A60, 16 bytes long.
 Data: <  &#219;&#209;&#158;           > 00 04 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019ED1DC7550, 16 bytes long.
 Data: <&#216; &#219;&#209;&#158;           > D8 03 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019ED1DC15B0, 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 0x0000019ED1DC6D30, 16 bytes long.
 Data: <&#176; &#219;&#209;&#158;           > B0 03 DB D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019ED1DB03B0, 320 bytes long.
 Data: <0m&#220;&#209;&#158;   &#176; &#220;&#209;&#158;   > 30 6D DC D1 9E 01 00 00 B0 15 DC D1 9E 01 00 00 
{274} normal block at 0x0000019ED1DC6E70, 16 bytes long.
 Data: <0z&#220;&#209;&#158;           > 30 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019ED1DC71E0, 16 bytes long.
 Data: < z&#220;&#209;&#158;           > 08 7A DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019ED1DC17F0, 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 0x0000019ED1DC6F10, 16 bytes long.
 Data: <&#224;y&#220;&#209;&#158;           > E0 79 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019ED1DC1AF0, 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 0x0000019ED1DC6F60, 16 bytes long.
 Data: <(y&#220;&#209;&#158;           > 28 79 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019ED1DC70A0, 16 bytes long.
 Data: < y&#220;&#209;&#158;           > 00 79 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019ED1DC6830, 16 bytes long.
 Data: <&#216;x&#220;&#209;&#158;           > D8 78 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019ED1DC6EC0, 16 bytes long.
 Data: <&#176;x&#220;&#209;&#158;           > B0 78 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019ED1DC6A10, 16 bytes long.
 Data: < x&#220;&#209;&#158;           > 88 78 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019ED1DC7500, 16 bytes long.
 Data: <`x&#220;&#209;&#158;           > 60 78 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019ED1DC6D80, 16 bytes long.
 Data: < `&#220;&#209;&#158;           > 20 60 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019ED1DC6020, 40 bytes long.
 Data: < m&#220;&#209;&#158;   Pw&#167;&#211;&#158;   > 80 6D DC D1 9E 01 00 00 50 77 A7 D3 9E 01 00 00 
{260} normal block at 0x0000019ED1DC6920, 16 bytes long.
 Data: <@x&#220;&#209;&#158;           > 40 78 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019ED1DC69C0, 16 bytes long.
 Data: < x&#220;&#209;&#158;           > 18 78 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019ED1DC1250, 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 0x0000019ED1DC7640, 16 bytes long.
 Data: <&#240;w&#220;&#209;&#158;           > F0 77 DC D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019ED1DC77F0, 992 bytes long.
 Data: <@v&#220;&#209;&#158;   P &#220;&#209;&#158;   > 40 76 DC D1 9E 01 00 00 50 12 DC D1 9E 01 00 00 
{92} normal block at 0x0000019ED1DC1970, 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 0x0000019ED1DC0820, 16 bytes long.
 Data: < &#193;&#218;&#209;&#158;           > 10 C1 DA D1 9E 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000019ED1DAC110, 40 bytes long.
 Data: <  &#220;&#209;&#158;   p &#220;&#209;&#158;   > 20 08 DC D1 9E 01 00 00 70 19 DC D1 9E 01 00 00 
{69} normal block at 0x0000019ED1DC06E0, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019ED1DC0C30, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019ED1DC00F0, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019ED1DC01E0, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019ED1DC0690, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019ED1DC0A00, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019ED1DC0F50, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019ED1DC04B0, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019ED1DC0F00, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019ED1DC0050, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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