Task 38666570

Name test_272-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0811_0
Workunit 31609435
Created 25 Oct 2026, 3:51:57 UTC
Sent 25 Oct 2026, 6:11:48 UTC
Report deadline 30 Oct 2026, 6:11:48 UTC
Received 25 Oct 2026, 7:28:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 31 sec
CPU time 22 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.12 MB
Peak swap size 3.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
08:04:08 (24060): wrapper (7.9.26016): starting
08:04:08 (24060): 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
08:04:09 (24060): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:04:09 (24060): 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
08:27:02 (24060): C:/Windows/system32/cmd.exe exited; CPU time 1335.718750
08:27:02 (24060): 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: 26446451 bytes.
Dumping objects ->
{3835503} normal block at 0x000002ABF20B3D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000002ABF20B4620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000002ABF20B4C40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x000002ABF20B4700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000002ABF02C5C40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x000002ABF2027690, 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) : {3835415} normal block at 0x000002ABF02BDA50, 8 bytes long.
 Data: <  m&#240;&#171;   > 00 00 6D F0 AB 02 00 00 
{3833963} normal block at 0x000002ABF02BDA00, 8 bytes long.
 Data: < &#234;&#228;&#241;&#171;   > 90 EA E4 F1 AB 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002ABF02C1D60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002ABF02B6BE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002ABF02C6710, 16 bytes long.
 Data: <&#184;s,&#240;&#171;           > B8 73 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002ABF02C6260, 16 bytes long.
 Data: < s,&#240;&#171;           > 90 73 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002ABF02C05B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002ABF02C6F80, 16 bytes long.
 Data: <hs,&#240;&#171;           > 68 73 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002ABF02C6F30, 16 bytes long.
 Data: <@s,&#240;&#171;           > 40 73 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ABF02C6990, 16 bytes long.
 Data: < s,&#240;&#171;           > 18 73 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ABF02C6EE0, 16 bytes long.
 Data: <&#240;r,&#240;&#171;           > F0 72 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002ABF02C5AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002ABF02C6940, 16 bytes long.
 Data: <X +&#240;&#171;           > 58 98 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002ABF02C00D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002ABF02C6E90, 16 bytes long.
 Data: <0 +&#240;&#171;           > 30 98 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002ABF02C6CB0, 16 bytes long.
 Data: <  +&#240;&#171;           > 08 98 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ABF02C6E40, 16 bytes long.
 Data: <&#224;&#151;+&#240;&#171;           > E0 97 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002ABF02C6C60, 16 bytes long.
 Data: <&#184;&#151;+&#240;&#171;           > B8 97 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ABF02C6D00, 16 bytes long.
 Data: < &#151;+&#240;&#171;           > 90 97 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ABF02C60D0, 16 bytes long.
 Data: <h&#151;+&#240;&#171;           > 68 97 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ABF02BFEF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002ABF02C6210, 16 bytes long.
 Data: <@&#151;+&#240;&#171;           > 40 97 2B F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002ABF02B9740, 320 bytes long.
 Data: < b,&#240;&#171;   &#240;&#254;+&#240;&#171;   > 10 62 2C F0 AB 02 00 00 F0 FE 2B F0 AB 02 00 00 
{277} normal block at 0x000002ABF02C7020, 16 bytes long.
 Data: <&#208;r,&#240;&#171;           > D0 72 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002ABF02C6FD0, 16 bytes long.
 Data: <&#168;r,&#240;&#171;           > A8 72 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002ABF02C0550, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002ABF02C6DF0, 16 bytes long.
 Data: < r,&#240;&#171;           > 80 72 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002ABF02BFE90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002ABF02C68F0, 16 bytes long.
 Data: <&#200;q,&#240;&#171;           > C8 71 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002ABF02C6300, 16 bytes long.
 Data: <&#160;q,&#240;&#171;           > A0 71 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002ABF02C6850, 16 bytes long.
 Data: <xq,&#240;&#171;           > 78 71 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ABF02C6800, 16 bytes long.
 Data: <Pq,&#240;&#171;           > 50 71 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ABF02C6DA0, 16 bytes long.
 Data: <(q,&#240;&#171;           > 28 71 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002ABF02C6AD0, 16 bytes long.
 Data: < q,&#240;&#171;           > 00 71 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ABF02C6BC0, 16 bytes long.
 Data: <&#176;\,&#240;&#171;           > B0 5C 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002ABF02C5CB0, 40 bytes long.
 Data: <&#192;k,&#240;&#171;    v &#242;&#171;   > C0 6B 2C F0 AB 02 00 00 90 76 02 F2 AB 02 00 00 
{263} normal block at 0x000002ABF02C6A30, 16 bytes long.
 Data: <&#224;p,&#240;&#171;           > E0 70 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002ABF02C68A0, 16 bytes long.
 Data: <&#184;p,&#240;&#171;           > B8 70 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002ABF02C0850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002ABF02C66C0, 16 bytes long.
 Data: < p,&#240;&#171;           > 90 70 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002ABF02C7090, 992 bytes long.
 Data: <&#192;f,&#240;&#171;   P ,&#240;&#171;   > C0 66 2C F0 AB 02 00 00 50 08 2C F0 AB 02 00 00 
{95} normal block at 0x000002ABF02C04F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002ABF02BE090, 16 bytes long.
 Data: <p^,&#240;&#171;           > 70 5E 2C F0 AB 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002ABF02C5E70, 40 bytes long.
 Data: < &#224;+&#240;&#171;   &#240; ,&#240;&#171;   > 90 E0 2B F0 AB 02 00 00 F0 04 2C F0 AB 02 00 00 
{72} normal block at 0x000002ABF02BE2C0, 16 bytes long.
 Data: < &#234;&#227;&#207;&#246;           > 80 EA E3 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002ABF02BE360, 16 bytes long.
 Data: <@&#233;&#227;&#207;&#246;           > 40 E9 E3 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002ABF02BE040, 16 bytes long.
 Data: <&#248;W&#224;&#207;&#246;           > F8 57 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ABF02BE630, 16 bytes long.
 Data: <&#216;W&#224;&#207;&#246;           > D8 57 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ABF02BE130, 16 bytes long.
 Data: <P &#224;&#207;&#246;           > 50 04 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ABF02BE770, 16 bytes long.
 Data: <0 &#224;&#207;&#246;           > 30 04 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ABF02BE860, 16 bytes long.
 Data: <&#224; &#224;&#207;&#246;           > E0 02 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ABF02BE310, 16 bytes long.
 Data: <  &#224;&#207;&#246;           > 10 04 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ABF02BDB90, 16 bytes long.
 Data: <p &#224;&#207;&#246;           > 70 04 E0 CF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002ABF02BDFF0, 16 bytes long.
 Data: < &#192;&#222;&#207;&#246;           > 18 C0 DE CF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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