Task 38687810

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7783_0
Workunit 31629187
Created 28 Oct 2026, 9:54:23 UTC
Sent 28 Oct 2026, 9:54:28 UTC
Report deadline 2 Nov 2026, 9:54:28 UTC
Received 28 Oct 2026, 10:29:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 33 min 49 sec
CPU time 30 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.93 MB
Peak swap size 6.90 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:56:09 (32728): wrapper (7.9.26016): starting
04:56:09 (32728): 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
04:56:11 (32728): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:56:11 (32728): 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\13\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\13\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
05:28:37 (32728): C:/Windows/system32/cmd.exe exited; CPU time 1851.937500
05:28:37 (32728): 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: 43437367 bytes.
Dumping objects ->
{3835265} normal block at 0x0000016BCEE4C9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000016BCD1848C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000016BCD184EE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000016BCD184A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000016BCD184AF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000016BCEE9B0F0, 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) : {3835177} normal block at 0x0000016BCD17FC60, 8 bytes long.
 Data: <  x&#205;k   > 00 00 78 CD 6B 01 00 00 
{3833963} normal block at 0x0000016BCD17FA30, 8 bytes long.
 Data: <&#176;&#227;&#218;&#206;k   > B0 E3 DA CE 6B 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000016BCD180C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016BCD176960, 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 0x0000016BCD185570, 16 bytes long.
 Data: <&#184;g &#205;k           > B8 67 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016BCD185FC0, 16 bytes long.
 Data: < g &#205;k           > 90 67 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016BCD17F160, 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 0x0000016BCD185520, 16 bytes long.
 Data: <hg &#205;k           > 68 67 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016BCD185DE0, 16 bytes long.
 Data: <@g &#205;k           > 40 67 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016BCD186100, 16 bytes long.
 Data: < g &#205;k           > 18 67 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016BCD1857F0, 16 bytes long.
 Data: <&#240;f &#205;k           > F0 66 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016BCD184E00, 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 0x0000016BCD1860B0, 16 bytes long.
 Data: <&#248;&#182; &#205;k           > F8 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016BCD17F6A0, 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 0x0000016BCD1863D0, 16 bytes long.
 Data: <&#208;&#182; &#205;k           > D0 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016BCD185930, 16 bytes long.
 Data: <&#168;&#182; &#205;k           > A8 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016BCD185D90, 16 bytes long.
 Data: < &#182; &#205;k           > 80 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016BCD185750, 16 bytes long.
 Data: <X&#182; &#205;k           > 58 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016BCD1854D0, 16 bytes long.
 Data: <0&#182; &#205;k           > 30 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016BCD185700, 16 bytes long.
 Data: < &#182; &#205;k           > 08 B6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016BCD17F0A0, 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 0x0000016BCD185660, 16 bytes long.
 Data: <&#224;&#181; &#205;k           > E0 B5 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016BCD16B5E0, 320 bytes long.
 Data: <`V &#205;k   &#160;&#240; &#205;k   > 60 56 18 CD 6B 01 00 00 A0 F0 17 CD 6B 01 00 00 
{277} normal block at 0x0000016BCD185F70, 16 bytes long.
 Data: <&#208;f &#205;k           > D0 66 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016BCD185610, 16 bytes long.
 Data: <&#168;f &#205;k           > A8 66 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016BCD17F760, 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 0x0000016BCD186380, 16 bytes long.
 Data: < f &#205;k           > 80 66 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016BCD17ED40, 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 0x0000016BCD186420, 16 bytes long.
 Data: <&#200;e &#205;k           > C8 65 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016BCD186010, 16 bytes long.
 Data: <&#160;e &#205;k           > A0 65 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016BCD186060, 16 bytes long.
 Data: <xe &#205;k           > 78 65 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016BCD185CF0, 16 bytes long.
 Data: <Pe &#205;k           > 50 65 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016BCD1856B0, 16 bytes long.
 Data: <(e &#205;k           > 28 65 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016BCD1862E0, 16 bytes long.
 Data: < e &#205;k           > 00 65 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016BCD1855C0, 16 bytes long.
 Data: <&#160;I &#205;k           > A0 49 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016BCD1849A0, 40 bytes long.
 Data: <&#192;U &#205;k   &#240;&#176;&#233;&#206;k   > C0 55 18 CD 6B 01 00 00 F0 B0 E9 CE 6B 01 00 00 
{263} normal block at 0x0000016BCD185D40, 16 bytes long.
 Data: <&#224;d &#205;k           > E0 64 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016BCD185C50, 16 bytes long.
 Data: <&#184;d &#205;k           > B8 64 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016BCD17F2E0, 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 0x0000016BCD1857A0, 16 bytes long.
 Data: < d &#205;k           > 90 64 18 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016BCD186490, 992 bytes long.
 Data: <&#160;W &#205;k   &#224;&#242; &#205;k   > A0 57 18 CD 6B 01 00 00 E0 F2 17 CD 6B 01 00 00 
{95} normal block at 0x0000016BCD17EFE0, 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 0x0000016BCD17FBC0, 16 bytes long.
 Data: <&#224;&#230; &#205;k           > E0 E6 16 CD 6B 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000016BCD16E6E0, 40 bytes long.
 Data: <&#192;&#251; &#205;k   &#224;&#239; &#205;k   > C0 FB 17 CD 6B 01 00 00 E0 EF 17 CD 6B 01 00 00 
{72} normal block at 0x0000016BCD180160, 16 bytes long.
 Data: < &#234;L7&#247;           > 80 EA 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016BCD17FAD0, 16 bytes long.
 Data: <@&#233;L7&#247;           > 40 E9 4C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016BCD17FDA0, 16 bytes long.
 Data: <&#248;WI7&#247;           > F8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016BCD17FB70, 16 bytes long.
 Data: <&#216;WI7&#247;           > D8 57 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016BCD17FD50, 16 bytes long.
 Data: <P I7&#247;           > 50 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016BCD1800C0, 16 bytes long.
 Data: <0 I7&#247;           > 30 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016BCD1804D0, 16 bytes long.
 Data: <&#224; I7&#247;           > E0 02 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016BCD180110, 16 bytes long.
 Data: <  I7&#247;           > 10 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016BCD17FDF0, 16 bytes long.
 Data: <p I7&#247;           > 70 04 49 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016BCD180480, 16 bytes long.
 Data: < &#192;G7&#247;           > 18 C0 47 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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