Task 38669486

Name test_9-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7788_0
Workunit 31611829
Created 25 Oct 2026, 14:42:02 UTC
Sent 25 Oct 2026, 14:42:08 UTC
Report deadline 30 Oct 2026, 14:42:08 UTC
Received 25 Oct 2026, 16:30:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640448
Run time 27 min 34 sec
CPU time 25 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 772.84 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:02:38 (10160): wrapper (7.9.26016): starting
17:02:38 (10160): 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
17:02:39 (10160): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:02:39 (10160): 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\3\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\3\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
17:29:17 (10160): C:/Windows/system32/cmd.exe exited; CPU time 1535.984375
17:29:17 (10160): 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: 23394539 bytes.
Dumping objects ->
{3835418} normal block at 0x0000029D37C94110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000029D37C93E00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x0000029D37C93AF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835385} normal block at 0x0000029D37C93C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835374} normal block at 0x0000029D37C940A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835343} normal block at 0x0000029D399B6280, 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) : {3835330} normal block at 0x0000029D37C8EA50, 8 bytes long.
 Data: <  &#194;7    > 00 00 C2 37 9D 02 00 00 
{3833957} normal block at 0x0000029D37C8EF00, 8 bytes long.
 Data: <00&#164;9    > 30 30 A4 39 9D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000029D37C901B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029D37C854A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000029D37C946E0, 16 bytes long.
 Data: <(Y&#201;7            > 28 59 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029D37C95040, 16 bytes long.
 Data: < Y&#201;7            > 00 59 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029D37C8F600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000029D37C95090, 16 bytes long.
 Data: <&#216;X&#201;7            > D8 58 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029D37C95180, 16 bytes long.
 Data: <&#176;X&#201;7            > B0 58 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029D37C94A00, 16 bytes long.
 Data: < X&#201;7            > 88 58 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029D37C94910, 16 bytes long.
 Data: <`X&#201;7            > 60 58 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029D37C7D960, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000029D37C94DC0, 16 bytes long.
 Data: <&#184;&#243;&#199;7            > B8 F3 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029D37C8FDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000029D37C94FF0, 16 bytes long.
 Data: < &#243;&#199;7            > 90 F3 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029D37C94F00, 16 bytes long.
 Data: <h&#243;&#199;7            > 68 F3 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029D37C94690, 16 bytes long.
 Data: <@&#243;&#199;7            > 40 F3 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029D37C94F50, 16 bytes long.
 Data: < &#243;&#199;7            > 18 F3 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029D37C94D20, 16 bytes long.
 Data: <&#240;&#242;&#199;7            > F0 F2 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029D37C94EB0, 16 bytes long.
 Data: <&#200;&#242;&#199;7            > C8 F2 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029D37C8FD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000029D37C94E60, 16 bytes long.
 Data: <&#160;&#242;&#199;7            > A0 F2 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029D37C7F2A0, 320 bytes long.
 Data: <`N&#201;7     &#253;&#200;7    > 60 4E C9 37 9D 02 00 00 80 FD C8 37 9D 02 00 00 
{274} normal block at 0x0000029D37C95130, 16 bytes long.
 Data: <@X&#201;7            > 40 58 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029D37C94820, 16 bytes long.
 Data: < X&#201;7            > 18 58 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029D37C8FD20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000029D37C95400, 16 bytes long.
 Data: <&#240;W&#201;7            > F0 57 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029D37C8F720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000029D37C95220, 16 bytes long.
 Data: <8W&#201;7            > 38 57 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029D37C94C80, 16 bytes long.
 Data: < W&#201;7            > 10 57 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029D37C94C30, 16 bytes long.
 Data: <&#232;V&#201;7            > E8 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029D37C951D0, 16 bytes long.
 Data: <&#192;V&#201;7            > C0 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029D37C94B40, 16 bytes long.
 Data: < V&#201;7            > 98 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029D37C94AF0, 16 bytes long.
 Data: <pV&#201;7            > 70 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029D37C94AA0, 16 bytes long.
 Data: <`&#199;&#199;7            > 60 C7 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029D37C7C760, 40 bytes long.
 Data: <&#160;J&#201;7     b&#155;9    > A0 4A C9 37 9D 02 00 00 80 62 9B 39 9D 02 00 00 
{260} normal block at 0x0000029D37C94640, 16 bytes long.
 Data: <PV&#201;7            > 50 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029D37C949B0, 16 bytes long.
 Data: <(V&#201;7            > 28 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029D37C8F540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000029D37C954A0, 16 bytes long.
 Data: < V&#201;7            > 00 56 C9 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029D37C95600, 992 bytes long.
 Data: <&#160;T&#201;7    @&#245;&#200;7    > A0 54 C9 37 9D 02 00 00 40 F5 C8 37 9D 02 00 00 
{92} normal block at 0x0000029D37C8F660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000029D37C8E3C0, 16 bytes long.
 Data: < &#211;&#199;7            > 20 D3 C7 37 9D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000029D37C7D320, 40 bytes long.
 Data: <&#192;&#227;&#200;7    `&#246;&#200;7    > C0 E3 C8 37 9D 02 00 00 60 F6 C8 37 9D 02 00 00 
{69} normal block at 0x0000029D37C8EAF0, 16 bytes long.
 Data: < &#234;8 &#247;           > 80 EA 38 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029D37C8E4B0, 16 bytes long.
 Data: <@&#233;8 &#247;           > 40 E9 38 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029D37C8E0F0, 16 bytes long.
 Data: <&#248;W5 &#247;           > F8 57 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029D37C8EEB0, 16 bytes long.
 Data: <&#216;W5 &#247;           > D8 57 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029D37C8EA00, 16 bytes long.
 Data: <P 5 &#247;           > 50 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029D37C8E460, 16 bytes long.
 Data: <0 5 &#247;           > 30 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029D37C8E690, 16 bytes long.
 Data: <&#224; 5 &#247;           > E0 02 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029D37C8EDC0, 16 bytes long.
 Data: <  5 &#247;           > 10 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029D37C8E370, 16 bytes long.
 Data: <p 5 &#247;           > 70 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029D37C8E320, 16 bytes long.
 Data: < &#192;3 &#247;           > 18 C0 33 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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