Task 38680682

Name test_165-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5467_0
Workunit 31622391
Created 27 Oct 2026, 0:50:54 UTC
Sent 27 Oct 2026, 0:50:55 UTC
Report deadline 1 Nov 2026, 0:50:55 UTC
Received 27 Oct 2026, 2:16:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 12 sec
CPU time 27 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.64 MB
Peak swap size 3.75 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:53:15 (5500): wrapper (7.9.26016): starting
01:53:15 (5500): 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
01:53:16 (5500): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:53:16 (5500): 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:\BOINC\ProgramData\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:\BOINC\ProgramData\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
02:20:24 (5500): C:/Windows/system32/cmd.exe exited; CPU time 1620.546875
02:20:24 (5500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19860129 bytes.
Dumping objects ->
{3835241} normal block at 0x0000020682681580, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x0000020682681900, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x0000020682681120, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x0000020682680B70, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x0000020682680B00, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x00000206827EC2D0, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x0000020680DAC1B0, 160 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) : {3835152} normal block at 0x0000020680CC7B70, 8 bytes long.
 Data: <  i&#130;    > 00 00 69 82 06 02 00 00 
{3834548} normal block at 0x0000020680DAB650, 160 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 0x0000020680CC78A0, 8 bytes long.
 Data: < N &#130;    > 90 4E 90 82 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020680CD1BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020680CB6300, 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 0x0000020680CD3100, 16 bytes long.
 Data: <h>&#205;             > 68 3E CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020680CD3060, 16 bytes long.
 Data: <@>&#205;             > 40 3E CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020680CCCE20, 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 0x0000020680CD3010, 16 bytes long.
 Data: < >&#205;             > 18 3E CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020680CD36F0, 16 bytes long.
 Data: <&#240;=&#205;             > F0 3D CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020680CD32E0, 16 bytes long.
 Data: <&#200;=&#205;             > C8 3D CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020680CD31A0, 16 bytes long.
 Data: <&#160;=&#205;             > A0 3D CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020680CCECA0, 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 0x0000020680CD36A0, 16 bytes long.
 Data: < b&#203;             > 98 62 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020680CCC7C0, 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 0x0000020680CD2FC0, 16 bytes long.
 Data: <pb&#203;             > 70 62 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020680CD2F20, 16 bytes long.
 Data: <Hb&#203;             > 48 62 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020680CD2E30, 16 bytes long.
 Data: < b&#203;             > 20 62 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020680CD2AC0, 16 bytes long.
 Data: <&#248;a&#203;             > F8 61 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020680CD2D40, 16 bytes long.
 Data: <&#208;a&#203;             > D0 61 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020680CD3290, 16 bytes long.
 Data: <&#168;a&#203;             > A8 61 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020680CCCF40, 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 0x0000020680CD3240, 16 bytes long.
 Data: < a&#203;             > 80 61 CB 80 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020680CB6180, 320 bytes long.
 Data: <@2&#205;     @&#207;&#204;     > 40 32 CD 80 06 02 00 00 40 CF CC 80 06 02 00 00 
{271} normal block at 0x0000020680CD3600, 16 bytes long.
 Data: < =&#205;             > 80 3D CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020680CD3470, 16 bytes long.
 Data: <X=&#205;             > 58 3D CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020680CCC760, 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 0x0000020680CD2B60, 16 bytes long.
 Data: <0=&#205;             > 30 3D CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020680CCCCA0, 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 0x0000020680CD2DE0, 16 bytes long.
 Data: <x<&#205;             > 78 3C CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020680CD2CA0, 16 bytes long.
 Data: <P<&#205;             > 50 3C CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020680CD34C0, 16 bytes long.
 Data: <(<&#205;             > 28 3C CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020680CD30B0, 16 bytes long.
 Data: < <&#205;             > 00 3C CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020680CD2ED0, 16 bytes long.
 Data: <&#216;;&#205;             > D8 3B CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020680CD38D0, 16 bytes long.
 Data: <&#176;;&#205;             > B0 3B CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020680CD3650, 16 bytes long.
 Data: <0&#236;&#204;             > 30 EC CC 80 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020680CCEC30, 40 bytes long.
 Data: <P6&#205;     &#208;&#194;~&#130;    > 50 36 CD 80 06 02 00 00 D0 C2 7E 82 06 02 00 00 
{257} normal block at 0x0000020680CD37E0, 16 bytes long.
 Data: < ;&#205;             > 90 3B CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020680CD3880, 16 bytes long.
 Data: <h;&#205;             > 68 3B CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020680CCC700, 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 0x0000020680CD2E80, 16 bytes long.
 Data: <@;&#205;             > 40 3B CD 80 06 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020680CD3B40, 992 bytes long.
 Data: < .&#205;      &#199;&#204;     > 80 2E CD 80 06 02 00 00 00 C7 CC 80 06 02 00 00 
{89} normal block at 0x0000020680CCCD60, 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 0x0000020680CC8480, 16 bytes long.
 Data: <p&#234;&#204;             > 70 EA CC 80 06 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000020680CCEA70, 40 bytes long.
 Data: < &#132;&#204;     `&#205;&#204;     > 80 84 CC 80 06 02 00 00 60 CD CC 80 06 02 00 00 
{66} normal block at 0x0000020680CC84D0, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020680CC8110, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020680CC80C0, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020680CC7D00, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020680CC8340, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020680CC83E0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020680CC78F0, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020680CC7A30, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020680CC7990, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020680CC7850, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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