Task 38674586

Name test_691-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5794_0
Workunit 31616617
Created 26 Oct 2026, 5:44:42 UTC
Sent 26 Oct 2026, 5:44:50 UTC
Report deadline 31 Oct 2026, 5:44:50 UTC
Received 26 Oct 2026, 9:03:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 6 min 47 sec
CPU time 1 hours 3 min
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 664.52 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:57:37 (9540): wrapper (7.9.26016): starting
20:57:37 (9540): 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
20:57:39 (9540): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:57:39 (9540): 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\1\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\1\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: Exiting with failure status due to previous errors
22:03:00 (9540): C:/Windows/system32/cmd.exe exited; CPU time 3780.109375
22:03:00 (9540): 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: 65311553 bytes.
Dumping objects ->
{3835297} normal block at 0x00000204E8B1D290, 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 0x00000204E8B1C8F0, 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 0x00000204E8B1D450, 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 0x00000204E70EB840, 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 0x00000204E70EB990, 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 0x00000204E8B64500, 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 0x00000204E8B7C670, 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 0x00000204E70E68A0, 8 bytes long.
 Data: <   &#231;    > 00 00 06 E7 04 02 00 00 
{3834578} normal block at 0x00000204E8B7C880, 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 0x00000204E70E67B0, 8 bytes long.
 Data: <  &#188;&#232;    > 80 12 BC E8 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000204E70F0340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000204E70E7B20, 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 0x00000204E70F1C90, 16 bytes long.
 Data: < 9 &#231;            > 88 39 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000204E70F1C40, 16 bytes long.
 Data: <`9 &#231;            > 60 39 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000204E70ECA60, 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 0x00000204E70F1BF0, 16 bytes long.
 Data: <89 &#231;            > 38 39 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204E70F1B50, 16 bytes long.
 Data: < 9 &#231;            > 10 39 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000204E70F1A10, 16 bytes long.
 Data: <&#232;8 &#231;            > E8 38 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000204E70F1330, 16 bytes long.
 Data: <&#192;8 &#231;            > C0 38 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000204E70EBAE0, 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 0x00000204E70F19C0, 16 bytes long.
 Data: <(&#187; &#231;            > 28 BB 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204E70ECA00, 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 0x00000204E70F1970, 16 bytes long.
 Data: < &#187; &#231;            > 00 BB 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204E70F1CE0, 16 bytes long.
 Data: <&#216;&#186; &#231;            > D8 BA 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000204E70F18D0, 16 bytes long.
 Data: <&#176;&#186; &#231;            > B0 BA 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204E70F14C0, 16 bytes long.
 Data: < &#186; &#231;            > 88 BA 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000204E70F2050, 16 bytes long.
 Data: <`&#186; &#231;            > 60 BA 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000204E70F1880, 16 bytes long.
 Data: <8&#186; &#231;            > 38 BA 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000204E70ECCA0, 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 0x00000204E70F13D0, 16 bytes long.
 Data: < &#186; &#231;            > 10 BA 0D E7 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000204E70DBA10, 320 bytes long.
 Data: <&#208;  &#231;    &#160;&#204; &#231;    > D0 13 0F E7 04 02 00 00 A0 CC 0E E7 04 02 00 00 
{271} normal block at 0x00000204E70F1A60, 16 bytes long.
 Data: <&#160;8 &#231;            > A0 38 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000204E70F1FB0, 16 bytes long.
 Data: <x8 &#231;            > 78 38 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000204E70ED120, 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 0x00000204E70F20F0, 16 bytes long.
 Data: <P8 &#231;            > 50 38 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000204E70ED720, 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 0x00000204E70F1B00, 16 bytes long.
 Data: < 7 &#231;            > 98 37 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000204E70F1470, 16 bytes long.
 Data: <p7 &#231;            > 70 37 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204E70F1BA0, 16 bytes long.
 Data: <H7 &#231;            > 48 37 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000204E70F1F60, 16 bytes long.
 Data: < 7 &#231;            > 20 37 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000204E70F1740, 16 bytes long.
 Data: <&#248;6 &#231;            > F8 36 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204E70F16F0, 16 bytes long.
 Data: <&#208;6 &#231;            > D0 36 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000204E70F1650, 16 bytes long.
 Data: <0&#181; &#231;            > 30 B5 0E E7 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000204E70EB530, 40 bytes long.
 Data: <P  &#231;     E&#182;&#232;    > 50 16 0F E7 04 02 00 00 00 45 B6 E8 04 02 00 00 
{257} normal block at 0x00000204E70F1F10, 16 bytes long.
 Data: <&#176;6 &#231;            > B0 36 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000204E70F1600, 16 bytes long.
 Data: < 6 &#231;            > 88 36 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000204E70ED1E0, 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 0x00000204E70F1EC0, 16 bytes long.
 Data: <`6 &#231;            > 60 36 0F E7 04 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000204E70F3660, 992 bytes long.
 Data: <&#192;  &#231;    &#224;&#209; &#231;    > C0 1E 0F E7 04 02 00 00 E0 D1 0E E7 04 02 00 00 
{89} normal block at 0x00000204E70ECE20, 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 0x00000204E70E7520, 16 bytes long.
 Data: < &#186; &#231;            > 00 BA 0E E7 04 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000204E70EBA00, 40 bytes long.
 Data: < u &#231;     &#206; &#231;    > 20 75 0E E7 04 02 00 00 20 CE 0E E7 04 02 00 00 
{66} normal block at 0x00000204E70E7480, 16 bytes long.
 Data: < &#234;C&#252;&#246;           > 80 EA 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000204E70E6760, 16 bytes long.
 Data: <@&#233;C&#252;&#246;           > 40 E9 43 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000204E70E6DF0, 16 bytes long.
 Data: <&#248;W@&#252;&#246;           > F8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000204E70E6DA0, 16 bytes long.
 Data: <&#216;W@&#252;&#246;           > D8 57 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000204E70E7340, 16 bytes long.
 Data: <P @&#252;&#246;           > 50 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000204E70E6D50, 16 bytes long.
 Data: <0 @&#252;&#246;           > 30 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000204E70E6D00, 16 bytes long.
 Data: <&#224; @&#252;&#246;           > E0 02 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000204E70E7430, 16 bytes long.
 Data: <  @&#252;&#246;           > 10 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000204E70E6CB0, 16 bytes long.
 Data: <p @&#252;&#246;           > 70 04 40 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000204E70E69E0, 16 bytes long.
 Data: < &#192;>&#252;&#246;           > 18 C0 3E FC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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