Task 38673091

Name test_693-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6322_0
Workunit 31615195
Created 26 Oct 2026, 1:26:52 UTC
Sent 26 Oct 2026, 1:26:57 UTC
Report deadline 31 Oct 2026, 1:26:57 UTC
Received 26 Oct 2026, 2:33:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 17 sec
CPU time 1 hours 0 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.71 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:30:21 (22376): wrapper (7.9.26016): starting
14:30:21 (22376): 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
14:30:22 (22376): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:30:22 (22376): 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\5\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\5\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
15:32:18 (22376): C:/Windows/system32/cmd.exe exited; CPU time 3637.890625
15:32:18 (22376): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 60728497 bytes.
Dumping objects ->
{3835297} normal block at 0x0000022969D15630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x0000022969D150F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000022969D14980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x000002296811B3F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000002296811B380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x0000022969C2BD10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000022969C8D020, 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) : {3835208} normal block at 0x0000022968116750, 8 bytes long.
 Data: <   h)   > 00 00 0D 68 29 02 00 00 
{3834578} normal block at 0x0000022969C8D390, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000022968116F70, 8 bytes long.
 Data: <&#176;&#247; h)   > B0 F7 16 68 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000022968120110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022968105CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000022968121C40, 16 bytes long.
 Data: <X7 h)           > 58 37 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022968121BF0, 16 bytes long.
 Data: <07 h)           > 30 37 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002296811C990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000022968121A60, 16 bytes long.
 Data: < 7 h)           > 08 37 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022968121EC0, 16 bytes long.
 Data: <&#224;6 h)           > E0 36 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022968121D80, 16 bytes long.
 Data: <&#184;6 h)           > B8 36 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022968121A10, 16 bytes long.
 Data: < 6 h)           > 90 36 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002296811B310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000229681219C0, 16 bytes long.
 Data: <X\ h)           > 58 5C 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002296811CAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000022968121100, 16 bytes long.
 Data: <0\ h)           > 30 5C 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229681216F0, 16 bytes long.
 Data: < \ h)           > 08 5C 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022968121060, 16 bytes long.
 Data: <&#224;[ h)           > E0 5B 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022968121B50, 16 bytes long.
 Data: <&#184;[ h)           > B8 5B 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000229681216A0, 16 bytes long.
 Data: < [ h)           > 90 5B 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022968121880, 16 bytes long.
 Data: <h[ h)           > 68 5B 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002296811CBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000022968121600, 16 bytes long.
 Data: <@[ h)           > 40 5B 10 68 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022968105B40, 320 bytes long.
 Data: <   h)   &#208;&#203; h)   > 00 16 12 68 29 02 00 00 D0 CB 11 68 29 02 00 00 
{271} normal block at 0x0000022968121970, 16 bytes long.
 Data: <p6 h)           > 70 36 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022968121560, 16 bytes long.
 Data: <H6 h)           > 48 36 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002296811CED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000022968121510, 16 bytes long.
 Data: < 6 h)           > 20 36 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002296811CF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000022968121920, 16 bytes long.
 Data: <h5 h)           > 68 35 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022968121790, 16 bytes long.
 Data: <@5 h)           > 40 35 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022968121650, 16 bytes long.
 Data: < 5 h)           > 18 35 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022968121330, 16 bytes long.
 Data: <&#240;4 h)           > F0 34 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022968121BA0, 16 bytes long.
 Data: <&#200;4 h)           > C8 34 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229681212E0, 16 bytes long.
 Data: <&#160;4 h)           > A0 34 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000229681214C0, 16 bytes long.
 Data: < &#183; h)           > 00 B7 11 68 29 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002296811B700, 40 bytes long.
 Data: <&#192;  h)    &#189;&#194;i)   > C0 14 12 68 29 02 00 00 10 BD C2 69 29 02 00 00 
{257} normal block at 0x00000229681218D0, 16 bytes long.
 Data: < 4 h)           > 80 34 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022968121AB0, 16 bytes long.
 Data: <X4 h)           > 58 34 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002296811CE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000022968121470, 16 bytes long.
 Data: <04 h)           > 30 34 12 68 29 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022968123430, 992 bytes long.
 Data: <p  h)   p&#206; h)   > 70 14 12 68 29 02 00 00 70 CE 11 68 29 02 00 00 
{89} normal block at 0x000002296811D530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000229681167A0, 16 bytes long.
 Data: <&#208;&#180; h)           > D0 B4 11 68 29 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002296811B4D0, 40 bytes long.
 Data: <&#160;g h)   0&#213; h)   > A0 67 11 68 29 02 00 00 30 D5 11 68 29 02 00 00 
{66} normal block at 0x0000022968116700, 16 bytes long.
 Data: < &#234;C&#252;&#246;           > 80 EA 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022968116430, 16 bytes long.
 Data: <@&#233;C&#252;&#246;           > 40 E9 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022968116840, 16 bytes long.
 Data: <&#248;W@&#252;&#246;           > F8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022968117380, 16 bytes long.
 Data: <&#216;W@&#252;&#246;           > D8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229681171A0, 16 bytes long.
 Data: <P @&#252;&#246;           > 50 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022968116DE0, 16 bytes long.
 Data: <0 @&#252;&#246;           > 30 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022968117240, 16 bytes long.
 Data: <&#224; @&#252;&#246;           > E0 02 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022968116ED0, 16 bytes long.
 Data: <  @&#252;&#246;           > 10 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022968116660, 16 bytes long.
 Data: <p @&#252;&#246;           > 70 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000229681165C0, 16 bytes long.
 Data: < &#192;>&#252;&#246;           > 18 C0 3E FC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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