Task 38666792

Name test_345-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9543_0
Workunit 31609564
Created 25 Oct 2026, 4:48:00 UTC
Sent 25 Oct 2026, 4:57:01 UTC
Report deadline 30 Oct 2026, 4:57:01 UTC
Received 25 Oct 2026, 5:37:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652906
Run time 33 min 8 sec
CPU time 31 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.40 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:04:00 (12432): wrapper (7.9.26016): starting
01:04:00 (12432): 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
01:04:01 (12432): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:04:01 (12432): 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
01:36:45 (12432): C:/Windows/system32/cmd.exe exited; CPU time 1905.531250
01:36:45 (12432): 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: 42394283 bytes.
Dumping objects ->
{3835247} normal block at 0x0000029D44FB1870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000029D44FB1100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000029D44FB0DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x0000029D42EB8490, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000029D42EB8420, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000029D44F5D980, 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) : {3835159} normal block at 0x0000029D42EB08D0, 8 bytes long.
 Data: <  &#197;B    > 00 00 C5 42 9D 02 00 00 
{3833953} normal block at 0x0000029D42EB06F0, 8 bytes long.
 Data: < &#230;&#251;D    > 00 E6 FB 44 9D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000029D42EBDC10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029D42EA6FC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000029D42EBC9C0, 16 bytes long.
 Data: < &#217;&#235;B            > 88 D9 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029D42EBCE70, 16 bytes long.
 Data: <`&#217;&#235;B            > 60 D9 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029D42EB75A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000029D42EBC920, 16 bytes long.
 Data: <8&#217;&#235;B            > 38 D9 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029D42EBC8D0, 16 bytes long.
 Data: < &#217;&#235;B            > 10 D9 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029D42EBC880, 16 bytes long.
 Data: <&#232;&#216;&#235;B            > E8 D8 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029D42EBC7E0, 16 bytes long.
 Data: <&#192;&#216;&#235;B            > C0 D8 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029D42EB8030, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000029D42EBC790, 16 bytes long.
 Data: <&#232; &#235;B            > E8 0F EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029D42EB7540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000029D42EBC740, 16 bytes long.
 Data: <&#192; &#235;B            > C0 0F EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029D42EBCD80, 16 bytes long.
 Data: <  &#235;B            > 98 0F EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029D42EBD320, 16 bytes long.
 Data: <p &#235;B            > 70 0F EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029D42EBD2D0, 16 bytes long.
 Data: <H &#235;B            > 48 0F EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029D42EBD0A0, 16 bytes long.
 Data: <  &#235;B            > 20 0F EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029D42EBD5F0, 16 bytes long.
 Data: <&#248; &#235;B            > F8 0E EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029D42EB7240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000029D42EBCF10, 16 bytes long.
 Data: <&#208; &#235;B            > D0 0E EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029D42EB0ED0, 320 bytes long.
 Data: < &#207;&#235;B    @r&#235;B    > 10 CF EB 42 9D 02 00 00 40 72 EB 42 9D 02 00 00 
{272} normal block at 0x0000029D42EBCE20, 16 bytes long.
 Data: <&#160;&#216;&#235;B            > A0 D8 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029D42EBD4B0, 16 bytes long.
 Data: <x&#216;&#235;B            > 78 D8 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029D42EB7600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000029D42EBCF60, 16 bytes long.
 Data: <P&#216;&#235;B            > 50 D8 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029D42EB6F40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000029D42EBD000, 16 bytes long.
 Data: < &#215;&#235;B            > 98 D7 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029D42EBD550, 16 bytes long.
 Data: <p&#215;&#235;B            > 70 D7 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029D42EBD460, 16 bytes long.
 Data: <H&#215;&#235;B            > 48 D7 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029D42EBC6F0, 16 bytes long.
 Data: < &#215;&#235;B            > 20 D7 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029D42EBD230, 16 bytes long.
 Data: <&#248;&#214;&#235;B            > F8 D6 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029D42EBD3C0, 16 bytes long.
 Data: <&#208;&#214;&#235;B            > D0 D6 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029D42EBCA60, 16 bytes long.
 Data: < &#133;&#235;B            > 00 85 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029D42EB8500, 40 bytes long.
 Data: <`&#202;&#235;B     &#217;&#245;D    > 60 CA EB 42 9D 02 00 00 80 D9 F5 44 9D 02 00 00 
{258} normal block at 0x0000029D42EBD1E0, 16 bytes long.
 Data: <&#176;&#214;&#235;B            > B0 D6 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029D42EBD0F0, 16 bytes long.
 Data: < &#214;&#235;B            > 88 D6 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029D42EB74E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000029D42EBD280, 16 bytes long.
 Data: <`&#214;&#235;B            > 60 D6 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029D42EBD660, 992 bytes long.
 Data: < &#210;&#235;B    &#224;t&#235;B    > 80 D2 EB 42 9D 02 00 00 E0 74 EB 42 9D 02 00 00 
{90} normal block at 0x0000029D42EB6D00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000029D42EB0740, 16 bytes long.
 Data: <  &#235;B            > 10 81 EB 42 9D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000029D42EB8110, 40 bytes long.
 Data: <@ &#235;B     m&#235;B    > 40 07 EB 42 9D 02 00 00 00 6D EB 42 9D 02 00 00 
{67} normal block at 0x0000029D42EB0560, 16 bytes long.
 Data: < &#234;&#169;&#146;&#247;           > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029D42EAFE80, 16 bytes long.
 Data: <@&#233;&#169;&#146;&#247;           > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029D42EB0290, 16 bytes long.
 Data: <&#248;W&#166;&#146;&#247;           > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029D42EB0240, 16 bytes long.
 Data: <&#216;W&#166;&#146;&#247;           > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029D42EB0650, 16 bytes long.
 Data: <P &#166;&#146;&#247;           > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029D42EB0830, 16 bytes long.
 Data: <0 &#166;&#146;&#247;           > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029D42EB01A0, 16 bytes long.
 Data: <&#224; &#166;&#146;&#247;           > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029D42EAFD40, 16 bytes long.
 Data: <  &#166;&#146;&#247;           > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029D42EB0600, 16 bytes long.
 Data: <p &#166;&#146;&#247;           > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029D42EB0510, 16 bytes long.
 Data: < &#192;&#164;&#146;&#247;           > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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