Task 38607273

Name p38_A24_A33_r0_3-QUICO_ATM_GAFF2_NAGL_p38-3-6-RND2600_1
Workunit 31560844
Created 14 Apr 2026, 9:05:49 UTC
Sent 14 Apr 2026, 9:05:51 UTC
Report deadline 19 Apr 2026, 9:05:51 UTC
Received 15 Apr 2026, 5:07:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651994
Run time 4 hours 36 min 56 sec
CPU time 4 hours 31 min 2 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 50,489.32 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.23 MB
Peak swap size 13.00 GB
Peak disk usage 3.07 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:44:06 (60940): wrapper (7.9.26016): starting
01:44:06 (60940): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A33_0.pdb
QB_A24_A33_0.xml
QB_A24_A33.inpcrd
QB_A24_A33_input.yaml
QB_A24_A33.pdb
QB_A24_A33.prmtop
QB_A24_A33_sys.xml
run.bat
run.sh
01:44:07 (60940): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:44:07 (60940): 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\004\slots\2\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\004\slots\2\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
07:04:36 (60940): C:/Windows/system32/cmd.exe exited; CPU time 16262.734375
07:04:36 (60940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 593344665 bytes.
Dumping objects ->
{3835556} normal block at 0x00000251986A4D00, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835545} normal block at 0x000002519A340440, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835534} normal block at 0x000002519A33FF60, 32 bytes long.
 Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34 
{3835523} normal block at 0x000002519A33F900, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835512} normal block at 0x000002519A340560, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835481} normal block at 0x00000251986A4A60, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835470} normal block at 0x0000025198709F70, 140 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) : {3835467} normal block at 0x000002519869DE30, 8 bytes long.
 Data: <  &#166; Q   > 00 00 A6 98 51 02 00 00 
{3834691} normal block at 0x0000025198709A90, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002519869DCA0, 8 bytes long.
 Data: <0&#215;h Q   > 30 D7 68 98 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025198690EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025198691910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000251986A5D30, 16 bytes long.
 Data: <&#184;fj Q           > B8 66 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000251986A56F0, 16 bytes long.
 Data: < fj Q           > 90 66 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000251986A0DE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000251986A5A60, 16 bytes long.
 Data: <hfj Q           > 68 66 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000251986A6280, 16 bytes long.
 Data: <@fj Q           > 40 66 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000251986A6230, 16 bytes long.
 Data: < fj Q           > 18 66 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000251986A61E0, 16 bytes long.
 Data: <&#240;ej Q           > F0 65 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000251986A4910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000251986A5CE0, 16 bytes long.
 Data: < &#238;h Q           > 18 EE 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000251986A0BA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000251986A55B0, 16 bytes long.
 Data: <&#240;&#237;h Q           > F0 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000251986A5C40, 16 bytes long.
 Data: <&#200;&#237;h Q           > C8 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000251986A5A10, 16 bytes long.
 Data: <&#160;&#237;h Q           > A0 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000251986A5D80, 16 bytes long.
 Data: <x&#237;h Q           > 78 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000251986A56A0, 16 bytes long.
 Data: <P&#237;h Q           > 50 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000251986A5650, 16 bytes long.
 Data: <(&#237;h Q           > 28 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000251986A1620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000251986A5C90, 16 bytes long.
 Data: < &#237;h Q           > 00 ED 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002519868ED00, 320 bytes long.
 Data: < \j Q     j Q   > 90 5C 6A 98 51 02 00 00 20 16 6A 98 51 02 00 00 
{277} normal block at 0x00000251986A5920, 16 bytes long.
 Data: <&#208;ej Q           > D0 65 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000251986A6140, 16 bytes long.
 Data: <&#168;ej Q           > A8 65 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000251986A08A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000251986A60F0, 16 bytes long.
 Data: < ej Q           > 80 65 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000251986A0D20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000251986A58D0, 16 bytes long.
 Data: <&#200;dj Q           > C8 64 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000251986A53D0, 16 bytes long.
 Data: <&#160;dj Q           > A0 64 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000251986A6050, 16 bytes long.
 Data: <xdj Q           > 78 64 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000251986A60A0, 16 bytes long.
 Data: <Pdj Q           > 50 64 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000251986A6000, 16 bytes long.
 Data: <(dj Q           > 28 64 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000251986A5FB0, 16 bytes long.
 Data: < dj Q           > 00 64 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000251986A5BF0, 16 bytes long.
 Data: <@Kj Q           > 40 4B 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000251986A4B40, 40 bytes long.
 Data: <&#240;[j Q   `Jj Q   > F0 5B 6A 98 51 02 00 00 60 4A 6A 98 51 02 00 00 
{263} normal block at 0x00000251986A62D0, 16 bytes long.
 Data: <&#224;cj Q           > E0 63 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000251986A5F60, 16 bytes long.
 Data: <&#184;cj Q           > B8 63 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000251986A0AE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000251986A57E0, 16 bytes long.
 Data: < cj Q           > 90 63 6A 98 51 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000251986A6390, 992 bytes long.
 Data: <&#224;Wj Q   &#224; j Q   > E0 57 6A 98 51 02 00 00 E0 0A 6A 98 51 02 00 00 
{95} normal block at 0x00000251986A0EA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002519869DC00, 16 bytes long.
 Data: <&#176;&#228;h Q           > B0 E4 68 98 51 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002519868E4B0, 40 bytes long.
 Data: < &#220;i Q   &#160; j Q   > 00 DC 69 98 51 02 00 00 A0 0E 6A 98 51 02 00 00 
{72} normal block at 0x000002519869D200, 16 bytes long.
 Data: < &#234;&#142;&#139;&#246;           > 80 EA 8E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002519869DBB0, 16 bytes long.
 Data: <@&#233;&#142;&#139;&#246;           > 40 E9 8E 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002519869DD90, 16 bytes long.
 Data: <&#248;W&#139;&#139;&#246;           > F8 57 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002519869D840, 16 bytes long.
 Data: <&#216;W&#139;&#139;&#246;           > D8 57 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002519869DB60, 16 bytes long.
 Data: <P &#139;&#139;&#246;           > 50 04 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002519869D2F0, 16 bytes long.
 Data: <0 &#139;&#139;&#246;           > 30 04 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002519869D4D0, 16 bytes long.
 Data: <&#224; &#139;&#139;&#246;           > E0 02 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002519869DAC0, 16 bytes long.
 Data: <  &#139;&#139;&#246;           > 10 04 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002519869DA20, 16 bytes long.
 Data: <p &#139;&#139;&#246;           > 70 04 8B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002519869D480, 16 bytes long.
 Data: < &#192;&#137;&#139;&#246;           > 18 C0 89 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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