Task 38654357

Name test_990-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND2116_0
Workunit 31598184
Created 24 Oct 2026, 7:09:56 UTC
Sent 24 Oct 2026, 7:10:08 UTC
Report deadline 29 Oct 2026, 7:10:08 UTC
Received 24 Oct 2026, 8:12:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654777
Run time 32 min 23 sec
CPU time 29 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.19 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:26 (9184): wrapper (7.9.26016): starting
08:39:26 (9184): 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
08:39:28 (9184): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:28 (9184): 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
09:11:31 (9184): C:/Windows/system32/cmd.exe exited; CPU time 1792.000000
09:11:31 (9184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 28519233 bytes.
Dumping objects ->
{3835236} normal block at 0x0000029D56C28E40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000029D56C29930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000029D56C28D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000029D54EE47B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000029D54EE4CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000029D56C3B300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000029D54F3BB30, 141 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) : {3835147} normal block at 0x0000029D54EDEA10, 8 bytes long.
 Data: <  &#235;T    > 00 00 EB 54 9D 02 00 00 
{3834546} normal block at 0x0000029D54F3B3E0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000029D54EDF280, 8 bytes long.
 Data: <&#160;Y&#201;V    > A0 59 C9 56 9D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029D54EE0A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029D54ED67D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000029D54EE5920, 16 bytes long.
 Data: <&#200;e&#238;T            > C8 65 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029D54EE6230, 16 bytes long.
 Data: <&#160;e&#238;T            > A0 65 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029D54EDFEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000029D54EE5F60, 16 bytes long.
 Data: <xe&#238;T            > 78 65 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029D54EE5CE0, 16 bytes long.
 Data: <Pe&#238;T            > 50 65 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029D54EE5880, 16 bytes long.
 Data: <(e&#238;T            > 28 65 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029D54EE6190, 16 bytes long.
 Data: < e&#238;T            > 00 65 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029D54EE4900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000029D54EE59C0, 16 bytes long.
 Data: <&#232;&#181;&#236;T            > E8 B5 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029D54EDFC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000029D54EE61E0, 16 bytes long.
 Data: <&#192;&#181;&#236;T            > C0 B5 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029D54EE5F10, 16 bytes long.
 Data: < &#181;&#236;T            > 98 B5 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029D54EE5A10, 16 bytes long.
 Data: <p&#181;&#236;T            > 70 B5 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029D54EE5830, 16 bytes long.
 Data: <H&#181;&#236;T            > 48 B5 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029D54EE6140, 16 bytes long.
 Data: < &#181;&#236;T            > 20 B5 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029D54EE55B0, 16 bytes long.
 Data: <&#248;&#180;&#236;T            > F8 B4 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029D54EDFE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000029D54EE5BF0, 16 bytes long.
 Data: <&#208;&#180;&#236;T            > D0 B4 EC 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029D54ECB4D0, 320 bytes long.
 Data: <&#240;[&#238;T    `&#254;&#237;T    > F0 5B EE 54 9D 02 00 00 60 FE ED 54 9D 02 00 00 
{276} normal block at 0x0000029D54EE5A60, 16 bytes long.
 Data: <&#224;d&#238;T            > E0 64 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029D54EE5B50, 16 bytes long.
 Data: <&#184;d&#238;T            > B8 64 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029D54EE0640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000029D54EE5E70, 16 bytes long.
 Data: < d&#238;T            > 90 64 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029D54EE01C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000029D54EE5C90, 16 bytes long.
 Data: <&#216;c&#238;T            > D8 63 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029D54EE6000, 16 bytes long.
 Data: <&#176;c&#238;T            > B0 63 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029D54EE5B00, 16 bytes long.
 Data: < c&#238;T            > 88 63 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029D54EE5AB0, 16 bytes long.
 Data: <`c&#238;T            > 60 63 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029D54EE60A0, 16 bytes long.
 Data: <8c&#238;T            > 38 63 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029D54EE52E0, 16 bytes long.
 Data: < c&#238;T            > 10 63 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029D54EE57E0, 16 bytes long.
 Data: <&#224;I&#238;T            > E0 49 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029D54EE49E0, 40 bytes long.
 Data: <&#224;W&#238;T     &#179;&#195;V    > E0 57 EE 54 9D 02 00 00 00 B3 C3 56 9D 02 00 00 
{262} normal block at 0x0000029D54EE58D0, 16 bytes long.
 Data: <&#240;b&#238;T            > F0 62 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029D54EE5EC0, 16 bytes long.
 Data: <&#200;b&#238;T            > C8 62 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029D54EDFD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000029D54EE5D80, 16 bytes long.
 Data: <&#160;b&#238;T            > A0 62 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029D54EE62A0, 992 bytes long.
 Data: < ]&#238;T    @&#253;&#237;T    > 80 5D EE 54 9D 02 00 00 40 FD ED 54 9D 02 00 00 
{94} normal block at 0x0000029D54EDFE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000029D54EDEA60, 16 bytes long.
 Data: < H&#238;T            > 20 48 EE 54 9D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000029D54EE4820, 40 bytes long.
 Data: <`&#234;&#237;T     &#254;&#237;T    > 60 EA ED 54 9D 02 00 00 00 FE ED 54 9D 02 00 00 
{71} normal block at 0x0000029D54EDEB50, 16 bytes long.
 Data: < &#234;&#151;R&#247;           > 80 EA 97 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029D54EDE970, 16 bytes long.
 Data: <@&#233;&#151;R&#247;           > 40 E9 97 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029D54EDF320, 16 bytes long.
 Data: <&#248;W&#148;R&#247;           > F8 57 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029D54EDED30, 16 bytes long.
 Data: <&#216;W&#148;R&#247;           > D8 57 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029D54EDE9C0, 16 bytes long.
 Data: <P &#148;R&#247;           > 50 04 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029D54EDE790, 16 bytes long.
 Data: <0 &#148;R&#247;           > 30 04 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029D54EDE830, 16 bytes long.
 Data: <&#224; &#148;R&#247;           > E0 02 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029D54EDF230, 16 bytes long.
 Data: <  &#148;R&#247;           > 10 04 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029D54EDF370, 16 bytes long.
 Data: <p &#148;R&#247;           > 70 04 94 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029D54EDEFB0, 16 bytes long.
 Data: < &#192;&#146;R&#247;           > 18 C0 92 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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