Task 38680709

Name test_455-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7215_0
Workunit 31622417
Created 27 Oct 2026, 0:55:59 UTC
Sent 27 Oct 2026, 0:56:01 UTC
Report deadline 1 Nov 2026, 0:56:01 UTC
Received 27 Oct 2026, 2:02:31 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 39 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 668.27 MB
Peak swap size 3.71 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:59:30 (24308): wrapper (7.9.26016): starting
13:59:30 (24308): 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
13:59:32 (24308): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:59:32 (24308): 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\4\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\4\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
15:01:28 (24308): C:/Windows/system32/cmd.exe exited; CPU time 3639.171875
15:01:28 (24308): 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: 61215125 bytes.
Dumping objects ->
{3835297} normal block at 0x0000020377BD6440, 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 0x0000020377BD6750, 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 0x0000020377BD6C20, 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 0x0000020375FCB470, 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 0x0000020375FCB400, 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 0x0000020377B3C040, 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 0x0000020377B9D1F0, 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 0x0000020375FC73F0, 8 bytes long.
 Data: <  &#248;u    > 00 00 F8 75 03 02 00 00 
{3834578} normal block at 0x0000020377B9D4B0, 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 0x0000020375FC6BD0, 8 bytes long.
 Data: <&#192;Y&#197;w    > C0 59 C5 77 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020375FD0190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020375FB5CC0, 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 0x0000020375FD16D0, 16 bytes long.
 Data: < 6&#253;u            > 98 36 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020375FD1900, 16 bytes long.
 Data: <p6&#253;u            > 70 36 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020375FCD4F0, 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 0x0000020375FD1680, 16 bytes long.
 Data: <H6&#253;u            > 48 36 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020375FD1590, 16 bytes long.
 Data: < 6&#253;u            > 20 36 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020375FD0FA0, 16 bytes long.
 Data: <&#248;5&#253;u            > F8 35 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020375FD1C70, 16 bytes long.
 Data: <&#208;5&#253;u            > D0 35 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020375FCB320, 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 0x0000020375FD18B0, 16 bytes long.
 Data: <X\&#251;u            > 58 5C FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020375FCC830, 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 0x0000020375FD1630, 16 bytes long.
 Data: <0\&#251;u            > 30 5C FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020375FD14F0, 16 bytes long.
 Data: < \&#251;u            > 08 5C FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020375FD14A0, 16 bytes long.
 Data: <&#224;[&#251;u            > E0 5B FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020375FD1450, 16 bytes long.
 Data: <&#184;[&#251;u            > B8 5B FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020375FD1E50, 16 bytes long.
 Data: < [&#251;u            > 90 5B FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020375FD1400, 16 bytes long.
 Data: <h[&#251;u            > 68 5B FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020375FCD070, 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 0x0000020375FD1310, 16 bytes long.
 Data: <@[&#251;u            > 40 5B FB 75 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020375FB5B40, 320 bytes long.
 Data: <  &#253;u    p&#208;&#252;u    > 10 13 FD 75 03 02 00 00 70 D0 FC 75 03 02 00 00 
{271} normal block at 0x0000020375FD1E00, 16 bytes long.
 Data: <&#176;5&#253;u            > B0 35 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020375FD1C20, 16 bytes long.
 Data: < 5&#253;u            > 88 35 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020375FCCE90, 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 0x0000020375FD1BD0, 16 bytes long.
 Data: <`5&#253;u            > 60 35 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020375FCCA70, 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 0x0000020375FD1180, 16 bytes long.
 Data: <&#168;4&#253;u            > A8 34 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020375FD0FF0, 16 bytes long.
 Data: < 4&#253;u            > 80 34 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020375FD1270, 16 bytes long.
 Data: <X4&#253;u            > 58 34 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020375FD1090, 16 bytes long.
 Data: <04&#253;u            > 30 34 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020375FD1EF0, 16 bytes long.
 Data: < 4&#253;u            > 08 34 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020375FD1B80, 16 bytes long.
 Data: <&#224;3&#253;u            > E0 33 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020375FD1AE0, 16 bytes long.
 Data: <&#224;&#180;&#252;u            > E0 B4 FC 75 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020375FCB4E0, 40 bytes long.
 Data: <&#224; &#253;u    @&#192;&#179;w    > E0 1A FD 75 03 02 00 00 40 C0 B3 77 03 02 00 00 
{257} normal block at 0x0000020375FD1540, 16 bytes long.
 Data: <&#192;3&#253;u            > C0 33 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020375FD1DB0, 16 bytes long.
 Data: < 3&#253;u            > 98 33 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020375FCC710, 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 0x0000020375FD1220, 16 bytes long.
 Data: <p3&#253;u            > 70 33 FD 75 03 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020375FD3370, 992 bytes long.
 Data: <  &#253;u     &#199;&#252;u    > 20 12 FD 75 03 02 00 00 10 C7 FC 75 03 02 00 00 
{89} normal block at 0x0000020375FCCF50, 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 0x0000020375FC73A0, 16 bytes long.
 Data: <0&#182;&#252;u            > 30 B6 FC 75 03 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000020375FCB630, 40 bytes long.
 Data: <&#160;s&#252;u    P&#207;&#252;u    > A0 73 FC 75 03 02 00 00 50 CF FC 75 03 02 00 00 
{66} normal block at 0x0000020375FC71C0, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020375FC7170, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020375FC6EA0, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020375FC6E00, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020375FC6A40, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020375FC6E50, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020375FC6540, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020375FC7030, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020375FC6C70, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020375FC6FE0, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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