Task 38667317

Name test_859-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2317_0
Workunit 31609959
Created 25 Oct 2026, 7:22:17 UTC
Sent 25 Oct 2026, 7:22:33 UTC
Report deadline 30 Oct 2026, 7:22:33 UTC
Received 25 Oct 2026, 7:52:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 21 sec
CPU time 22 min 14 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 706.04 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
08:28:17 (26132): wrapper (7.9.26016): starting
08:28:17 (26132): 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
08:28:18 (26132): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:28:18 (26132): 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
08:51:10 (26132): C:/Windows/system32/cmd.exe exited; CPU time 1334.093750
08:51:10 (26132): 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: 26407303 bytes.
Dumping objects ->
{3835503} normal block at 0x00000236CDF1EBA0, 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 0x00000236CDF1ED60, 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 0x00000236CDF1EB30, 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 0x00000236CDF1ECF0, 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 0x00000236CC296B30, 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 0x00000236CDF6CB60, 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 0x00000236CC28F0B0, 8 bytes long.
 Data: <  q&#204;6   > 00 00 71 CC 36 02 00 00 
{3833963} normal block at 0x00000236CC28EF20, 8 bytes long.
 Data: <`b)&#204;6   > 60 62 29 CC 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000236CC292D70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000236CC2872C0, 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 0x00000236CC297420, 16 bytes long.
 Data: <&#168;&#130;)&#204;6           > A8 82 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000236CC2974C0, 16 bytes long.
 Data: < &#130;)&#204;6           > 80 82 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000236CC291640, 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 0x00000236CC297D80, 16 bytes long.
 Data: <X&#130;)&#204;6           > 58 82 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000236CC297650, 16 bytes long.
 Data: <0&#130;)&#204;6           > 30 82 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000236CC297380, 16 bytes long.
 Data: < &#130;)&#204;6           > 08 82 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000236CC2976F0, 16 bytes long.
 Data: <&#224; )&#204;6           > E0 81 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000236CC296C80, 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 0x00000236CC297920, 16 bytes long.
 Data: <(&#168;(&#204;6           > 28 A8 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000236CC290D40, 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 0x00000236CC297BF0, 16 bytes long.
 Data: < &#168;(&#204;6           > 00 A8 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000236CC297AB0, 16 bytes long.
 Data: <&#216;&#167;(&#204;6           > D8 A7 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000236CC297970, 16 bytes long.
 Data: <&#176;&#167;(&#204;6           > B0 A7 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000236CC297D30, 16 bytes long.
 Data: < &#167;(&#204;6           > 88 A7 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000236CC297A10, 16 bytes long.
 Data: <`&#167;(&#204;6           > 60 A7 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000236CC297CE0, 16 bytes long.
 Data: <8&#167;(&#204;6           > 38 A7 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000236CC290BC0, 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 0x00000236CC297880, 16 bytes long.
 Data: < &#167;(&#204;6           > 10 A7 28 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236CC28A710, 320 bytes long.
 Data: < x)&#204;6   &#192; )&#204;6   > 80 78 29 CC 36 02 00 00 C0 0B 29 CC 36 02 00 00 
{277} normal block at 0x00000236CC297830, 16 bytes long.
 Data: <&#192; )&#204;6           > C0 81 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000236CC297150, 16 bytes long.
 Data: <  )&#204;6           > 98 81 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000236CC291700, 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 0x00000236CC297330, 16 bytes long.
 Data: <p )&#204;6           > 70 81 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236CC291520, 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 0x00000236CC2979C0, 16 bytes long.
 Data: <&#184; )&#204;6           > B8 80 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236CC297BA0, 16 bytes long.
 Data: <  )&#204;6           > 90 80 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000236CC297B00, 16 bytes long.
 Data: <h )&#204;6           > 68 80 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000236CC297F10, 16 bytes long.
 Data: <@ )&#204;6           > 40 80 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000236CC2977E0, 16 bytes long.
 Data: <  )&#204;6           > 18 80 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000236CC297C90, 16 bytes long.
 Data: <&#240; )&#204;6           > F0 7F 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000236CC297790, 16 bytes long.
 Data: < l)&#204;6           > 10 6C 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000236CC296C10, 40 bytes long.
 Data: < w)&#204;6   `&#203;&#246;&#205;6   > 90 77 29 CC 36 02 00 00 60 CB F6 CD 36 02 00 00 
{263} normal block at 0x00000236CC297100, 16 bytes long.
 Data: <&#208; )&#204;6           > D0 7F 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000236CC297E20, 16 bytes long.
 Data: <&#168; )&#204;6           > A8 7F 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000236CC290C80, 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 0x00000236CC297C40, 16 bytes long.
 Data: <  )&#204;6           > 80 7F 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000236CC297F80, 992 bytes long.
 Data: <@|)&#204;6     )&#204;6   > 40 7C 29 CC 36 02 00 00 80 0C 29 CC 36 02 00 00 
{95} normal block at 0x00000236CC290CE0, 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 0x00000236CC28F4C0, 16 bytes long.
 Data: < i)&#204;6           > 00 69 29 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000236CC296900, 40 bytes long.
 Data: <&#192;&#244;(&#204;6   &#224; )&#204;6   > C0 F4 28 CC 36 02 00 00 E0 0C 29 CC 36 02 00 00 
{72} normal block at 0x00000236CC28F830, 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 0x00000236CC28EBB0, 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 0x00000236CC28EE80, 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 0x00000236CC28F8D0, 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 0x00000236CC28F6A0, 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 0x00000236CC28F1A0, 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 0x00000236CC28F7E0, 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 0x00000236CC28ECF0, 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 0x00000236CC28F880, 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 0x00000236CC28F650, 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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