Task 38686194

Name test_238-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND1647_0
Workunit 31627632
Created 28 Oct 2026, 1:11:51 UTC
Sent 28 Oct 2026, 1:11:55 UTC
Report deadline 2 Nov 2026, 1:11:55 UTC
Received 28 Oct 2026, 1:45:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 31 min 28 sec
CPU time 25 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.99 MB
Peak swap size 3.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:15:40 (9444): wrapper (7.9.26016): starting
18:15:40 (9444): 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
18:15:46 (9444): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:15:46 (9444): 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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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
18:44:24 (9444): C:/Windows/system32/cmd.exe exited; CPU time 1555.000000
18:44:24 (9444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 22120623 bytes.
Dumping objects ->
{3835276} normal block at 0x0000020A6B75AF50, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835265} normal block at 0x0000020A69A0ABE0, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835254} normal block at 0x0000020A69A0B120, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835243} normal block at 0x0000020A69A0ACC0, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835232} normal block at 0x0000020A69A0AA90, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835201} normal block at 0x0000020A6B75C550, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835190} normal block at 0x0000020A69F3E180, 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) : {3835186} normal block at 0x0000020A699E25B0, 8 bytes long.
 Data: <  &#244;i    > 00 00 F4 69 0A 02 00 00 
{3834579} normal block at 0x0000020A69F3E0D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x0000020A699E1B60, 8 bytes long.
 Data: <&#208;Y{k    > D0 59 7B 6B 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000020A699E3030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000020A699D0010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000020A699E8080, 16 bytes long.
 Data: <h&#132;&#158;i            > 68 84 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000020A699E7310, 16 bytes long.
 Data: <@&#132;&#158;i            > 40 84 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000020A699DE8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000020A699E7E50, 16 bytes long.
 Data: < &#132;&#158;i            > 18 84 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020A699E7400, 16 bytes long.
 Data: <&#240;&#131;&#158;i            > F0 83 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020A699E7E00, 16 bytes long.
 Data: <&#200;&#131;&#158;i            > C8 83 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020A699E7B80, 16 bytes long.
 Data: <&#160;&#131;&#158;i            > A0 83 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020A699DF920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000020A699E7EF0, 16 bytes long.
 Data: <H  i            > 48 1A 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020A699DEFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000020A699E72C0, 16 bytes long.
 Data: <   i            > 20 1A 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020A699E7BD0, 16 bytes long.
 Data: <&#248;  i            > F8 19 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A699E7DB0, 16 bytes long.
 Data: <&#208;  i            > D0 19 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020A699E7F90, 16 bytes long.
 Data: <&#168;  i            > A8 19 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020A699E7FE0, 16 bytes long.
 Data: <   i            > 80 19 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A699E75E0, 16 bytes long.
 Data: <X  i            > 58 19 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020A699DEE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000020A699E79F0, 16 bytes long.
 Data: <0  i            > 30 19 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A699D1930, 320 bytes long.
 Data: <&#240;y&#158;i     &#238; i    > F0 79 9E 69 0A 02 00 00 20 EE 9D 69 0A 02 00 00 
{290} normal block at 0x0000020A699E80D0, 16 bytes long.
 Data: < &#131;&#158;i            > 80 83 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A699E7680, 16 bytes long.
 Data: <X&#131;&#158;i            > 58 83 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020A699DE580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000020A699E7590, 16 bytes long.
 Data: <0&#131;&#158;i            > 30 83 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A699DE700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000020A699E7C70, 16 bytes long.
 Data: <x&#130;&#158;i            > 78 82 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A699E7D60, 16 bytes long.
 Data: <P&#130;&#158;i            > 50 82 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A699E71D0, 16 bytes long.
 Data: <(&#130;&#158;i            > 28 82 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A699E7AE0, 16 bytes long.
 Data: < &#130;&#158;i            > 00 82 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A699E74A0, 16 bytes long.
 Data: <&#216; &#158;i            > D8 81 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020A699E7A90, 16 bytes long.
 Data: <&#176; &#158;i            > B0 81 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020A699E7860, 16 bytes long.
 Data: < &#250; i            > 00 FA 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A699DFA00, 40 bytes long.
 Data: <`x&#158;i    P&#197;uk    > 60 78 9E 69 0A 02 00 00 50 C5 75 6B 0A 02 00 00 
{276} normal block at 0x0000020A699E7C20, 16 bytes long.
 Data: <  &#158;i            > 90 81 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020A699E7950, 16 bytes long.
 Data: <h &#158;i            > 68 81 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A699DEDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000020A699E7270, 16 bytes long.
 Data: <@ &#158;i            > 40 81 9E 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A699E8140, 992 bytes long.
 Data: <pr&#158;i    &#192;&#237; i    > 70 72 9E 69 0A 02 00 00 C0 ED 9D 69 0A 02 00 00 
{108} normal block at 0x0000020A699DE7C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000020A699E2150, 16 bytes long.
 Data: < &#249; i            > 90 F9 9D 69 0A 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000020A699DF990, 40 bytes long.
 Data: <P!&#158;i    &#192;&#231; i    > 50 21 9E 69 0A 02 00 00 C0 E7 9D 69 0A 02 00 00 
{85} normal block at 0x0000020A699E1FC0, 16 bytes long.
 Data: < &#234;&#200;&#204;&#247;           > 80 EA C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020A699E1980, 16 bytes long.
 Data: <@&#233;&#200;&#204;&#247;           > 40 E9 C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000020A699E24C0, 16 bytes long.
 Data: <&#248;W&#197;&#204;&#247;           > F8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020A699E2420, 16 bytes long.
 Data: <&#216;W&#197;&#204;&#247;           > D8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020A699E2380, 16 bytes long.
 Data: <P &#197;&#204;&#247;           > 50 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000020A699E23D0, 16 bytes long.
 Data: <0 &#197;&#204;&#247;           > 30 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020A699E2470, 16 bytes long.
 Data: <&#224; &#197;&#204;&#247;           > E0 02 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020A699E1DE0, 16 bytes long.
 Data: <  &#197;&#204;&#247;           > 10 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020A699E2290, 16 bytes long.
 Data: <p &#197;&#204;&#247;           > 70 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020A699E1890, 16 bytes long.
 Data: < &#192;&#195;&#204;&#247;           > 18 C0 C3 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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