Task 38677192

Name test_882-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9604_0
Workunit 31619073
Created 26 Oct 2026, 13:34:51 UTC
Sent 26 Oct 2026, 13:34:58 UTC
Report deadline 31 Oct 2026, 13:34:58 UTC
Received 26 Oct 2026, 13:59:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 23 min 47 sec
CPU time 20 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.62 MB
Peak swap size 12.96 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:35:51 (9756): wrapper (7.9.26016): starting
14:35:51 (9756): 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
14:35:52 (9756): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:35:52 (9756): 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\2\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\2\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
14:58:49 (9756): C:/Windows/system32/cmd.exe exited; CPU time 1256.375000
14:58:49 (9756): 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: 20807687 bytes.
Dumping objects ->
{3835250} normal block at 0x000002AEC4FA63B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000002AEC4FA65E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002AEC4FA6340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000002AEC4FA5A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000002AEC4FA67A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000002AEC6C1D680, 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) : {3835162} normal block at 0x000002AEC4F77020, 8 bytes long.
 Data: <  &#244;&#196;&#174;   > 00 00 F4 C4 AE 02 00 00 
{3833957} normal block at 0x000002AEC4F768F0, 8 bytes long.
 Data: <&#160;&#155;&#250;&#196;&#174;   > A0 9B FA C4 AE 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002AEC4F81230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AEC4F822B0, 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 0x000002AEC4F82DB0, 16 bytes long.
 Data: <H8&#248;&#196;&#174;           > 48 38 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AEC4F83080, 16 bytes long.
 Data: < 8&#248;&#196;&#174;           > 20 38 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AEC4F77CB0, 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 0x000002AEC4F82B30, 16 bytes long.
 Data: <&#248;7&#248;&#196;&#174;           > F8 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AEC4F829A0, 16 bytes long.
 Data: <&#208;7&#248;&#196;&#174;           > D0 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AEC4F830D0, 16 bytes long.
 Data: <&#168;7&#248;&#196;&#174;           > A8 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AEC4F824F0, 16 bytes long.
 Data: < 7&#248;&#196;&#174;           > 80 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AEC4F7C430, 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 0x000002AEC4F824A0, 16 bytes long.
 Data: <H"&#248;&#196;&#174;           > 48 22 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AEC4F77C50, 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 0x000002AEC4F83030, 16 bytes long.
 Data: < "&#248;&#196;&#174;           > 20 22 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AEC4F82E50, 16 bytes long.
 Data: <&#248;!&#248;&#196;&#174;           > F8 21 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AEC4F82BD0, 16 bytes long.
 Data: <&#208;!&#248;&#196;&#174;           > D0 21 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AEC4F826D0, 16 bytes long.
 Data: <&#168;!&#248;&#196;&#174;           > A8 21 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AEC4F82FE0, 16 bytes long.
 Data: < !&#248;&#196;&#174;           > 80 21 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AEC4F82EA0, 16 bytes long.
 Data: <X!&#248;&#196;&#174;           > 58 21 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AEC4F77A70, 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 0x000002AEC4F82900, 16 bytes long.
 Data: <0!&#248;&#196;&#174;           > 30 21 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AEC4F82130, 320 bytes long.
 Data: < )&#248;&#196;&#174;   pz&#247;&#196;&#174;   > 00 29 F8 C4 AE 02 00 00 70 7A F7 C4 AE 02 00 00 
{274} normal block at 0x000002AEC4F83170, 16 bytes long.
 Data: <`7&#248;&#196;&#174;           > 60 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AEC4F82450, 16 bytes long.
 Data: <87&#248;&#196;&#174;           > 38 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AEC4F77590, 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 0x000002AEC4F831C0, 16 bytes long.
 Data: < 7&#248;&#196;&#174;           > 10 37 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AEC4F77B90, 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 0x000002AEC4F82950, 16 bytes long.
 Data: <X6&#248;&#196;&#174;           > 58 36 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AEC4F82D60, 16 bytes long.
 Data: <06&#248;&#196;&#174;           > 30 36 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AEC4F83300, 16 bytes long.
 Data: < 6&#248;&#196;&#174;           > 08 36 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AEC4F82720, 16 bytes long.
 Data: <&#224;5&#248;&#196;&#174;           > E0 35 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AEC4F82770, 16 bytes long.
 Data: <&#184;5&#248;&#196;&#174;           > B8 35 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AEC4F82AE0, 16 bytes long.
 Data: < 5&#248;&#196;&#174;           > 90 35 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AEC4F82D10, 16 bytes long.
 Data: < &#197;&#247;&#196;&#174;           > 10 C5 F7 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AEC4F7C510, 40 bytes long.
 Data: < -&#248;&#196;&#174;    &#214;&#193;&#198;&#174;   > 10 2D F8 C4 AE 02 00 00 80 D6 C1 C6 AE 02 00 00 
{260} normal block at 0x000002AEC4F82E00, 16 bytes long.
 Data: <p5&#248;&#196;&#174;           > 70 35 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AEC4F832B0, 16 bytes long.
 Data: <H5&#248;&#196;&#174;           > 48 35 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AEC4F78070, 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 0x000002AEC4F827C0, 16 bytes long.
 Data: < 5&#248;&#196;&#174;           > 20 35 F8 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002AEC4F83520, 992 bytes long.
 Data: <&#192;'&#248;&#196;&#174;   p &#247;&#196;&#174;   > C0 27 F8 C4 AE 02 00 00 70 80 F7 C4 AE 02 00 00 
{92} normal block at 0x000002AEC4F778F0, 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 0x000002AEC4F76490, 16 bytes long.
 Data: <`&#198;&#247;&#196;&#174;           > 60 C6 F7 C4 AE 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002AEC4F7C660, 40 bytes long.
 Data: < d&#247;&#196;&#174;   &#240;x&#247;&#196;&#174;   > 90 64 F7 C4 AE 02 00 00 F0 78 F7 C4 AE 02 00 00 
{69} normal block at 0x000002AEC4F76EE0, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AEC4F76B20, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AEC4F76440, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AEC4F763F0, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AEC4F77340, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AEC4F77110, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AEC4F770C0, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AEC4F768A0, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002AEC4F76C60, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002AEC4F772A0, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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