Task 38611118

Name p38_A03_A08_r0_4-QUICO_ATM_GAFF2_NAGL_p38-3-6-RND1334_0
Workunit 31563903
Created 15 Apr 2026, 16:14:23 UTC
Sent 15 Apr 2026, 16:14:25 UTC
Report deadline 20 Apr 2026, 16:14:25 UTC
Received 16 Apr 2026, 19:40:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652062
Run time 7 hours 39 min 17 sec
CPU time 7 hours 39 min 17 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 36,131.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.35 MB
Peak swap size 18.97 GB
Peak disk usage 3.08 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
14:13:59 (27148): wrapper (7.9.26016): starting
14:13:59 (27148): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A08_0.pdb
QB_A03_A08_0.xml
QB_A03_A08.inpcrd
QB_A03_A08_input.yaml
QB_A03_A08.pdb
QB_A03_A08.prmtop
QB_A03_A08_sys.xml
run.bat
run.sh
14:14:02 (27148): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:14:02 (27148): 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
21:39:23 (27148): C:/Windows/system32/cmd.exe exited; CPU time 27557.984375
21:39:23 (27148): 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: 813316767 bytes.
Dumping objects ->
{3835279} normal block at 0x0000018269548680, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835268} normal block at 0x000001826B344200, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835257} normal block at 0x000001826B344B00, 32 bytes long.
 Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34 
{3835246} normal block at 0x000001826B3446E0, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835235} normal block at 0x000001826B3436C0, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835204} normal block at 0x0000018269548610, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835193} normal block at 0x000001826956FD60, 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) : {3835190} normal block at 0x0000018269519660, 8 bytes long.
 Data: <  Gi&#130;   > 00 00 47 69 82 01 00 00 
{3834554} normal block at 0x000001826956F2D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000018269519610, 8 bytes long.
 Data: <&#160;88k&#130;   > A0 38 38 6B 82 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000018269523AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001826950B3E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000018269525800, 16 bytes long.
 Data: <&#216;\Ri&#130;           > D8 5C 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000182695256C0, 16 bytes long.
 Data: <&#176;\Ri&#130;           > B0 5C 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001826951FE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000018269524AE0, 16 bytes long.
 Data: < \Ri&#130;           > 88 5C 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018269525670, 16 bytes long.
 Data: <`\Ri&#130;           > 60 5C 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000182695255D0, 16 bytes long.
 Data: <8\Ri&#130;           > 38 5C 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000182695252B0, 16 bytes long.
 Data: < \Ri&#130;           > 10 5C 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001826951E1B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000018269525350, 16 bytes long.
 Data: < &#232;Pi&#130;           > 88 E8 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001826951FCC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000018269525760, 16 bytes long.
 Data: <`&#232;Pi&#130;           > 60 E8 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000182695249F0, 16 bytes long.
 Data: <8&#232;Pi&#130;           > 38 E8 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018269525580, 16 bytes long.
 Data: < &#232;Pi&#130;           > 10 E8 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000182695253F0, 16 bytes long.
 Data: <&#232;&#231;Pi&#130;           > E8 E7 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018269525530, 16 bytes long.
 Data: <&#192;&#231;Pi&#130;           > C0 E7 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018269524F40, 16 bytes long.
 Data: < &#231;Pi&#130;           > 98 E7 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001826951FB40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000018269524EF0, 16 bytes long.
 Data: <p&#231;Pi&#130;           > 70 E7 50 69 82 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001826950E770, 320 bytes long.
 Data: <&#240;NRi&#130;   @&#251;Qi&#130;   > F0 4E 52 69 82 01 00 00 40 FB 51 69 82 01 00 00 
{270} normal block at 0x0000018269525030, 16 bytes long.
 Data: <&#240;[Ri&#130;           > F0 5B 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018269525490, 16 bytes long.
 Data: <&#200;[Ri&#130;           > C8 5B 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001826951F3C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000018269524C20, 16 bytes long.
 Data: <&#160;[Ri&#130;           > A0 5B 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001826951F900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000018269525210, 16 bytes long.
 Data: <&#232;ZRi&#130;           > E8 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018269525120, 16 bytes long.
 Data: <&#192;ZRi&#130;           > C0 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018269524B30, 16 bytes long.
 Data: < ZRi&#130;           > 98 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018269525940, 16 bytes long.
 Data: <pZRi&#130;           > 70 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018269524BD0, 16 bytes long.
 Data: <HZRi&#130;           > 48 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018269525170, 16 bytes long.
 Data: < ZRi&#130;           > 20 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018269525620, 16 bytes long.
 Data: <`&#224;Qi&#130;           > 60 E0 51 69 82 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001826951E060, 40 bytes long.
 Data: < VRi&#130;    &#134;Ti&#130;   > 20 56 52 69 82 01 00 00 10 86 54 69 82 01 00 00 
{256} normal block at 0x0000018269525850, 16 bytes long.
 Data: < ZRi&#130;           > 00 5A 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018269525300, 16 bytes long.
 Data: <&#216;YRi&#130;           > D8 59 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001826951FFC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000182695254E0, 16 bytes long.
 Data: <&#176;YRi&#130;           > B0 59 52 69 82 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000182695259B0, 992 bytes long.
 Data: <&#224;TRi&#130;   &#192;&#255;Qi&#130;   > E0 54 52 69 82 01 00 00 C0 FF 51 69 82 01 00 00 
{88} normal block at 0x000001826951FF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000182695195C0, 16 bytes long.
 Data: <&#224;&#227;Qi&#130;           > E0 E3 51 69 82 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001826951E3E0, 40 bytes long.
 Data: <&#192;&#149;Qi&#130;    &#255;Qi&#130;   > C0 95 51 69 82 01 00 00 00 FF 51 69 82 01 00 00 
{65} normal block at 0x0000018269519E30, 16 bytes long.
 Data: < &#234;&#194;&#166;&#246;           > 80 EA C2 A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000182695193E0, 16 bytes long.
 Data: <@&#233;&#194;&#166;&#246;           > 40 E9 C2 A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018269519DE0, 16 bytes long.
 Data: <&#248;W&#191;&#166;&#246;           > F8 57 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018269519480, 16 bytes long.
 Data: <&#216;W&#191;&#166;&#246;           > D8 57 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018269519B10, 16 bytes long.
 Data: <P &#191;&#166;&#246;           > 50 04 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018269519390, 16 bytes long.
 Data: <0 &#191;&#166;&#246;           > 30 04 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018269519110, 16 bytes long.
 Data: <&#224; &#191;&#166;&#246;           > E0 02 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018269519F70, 16 bytes long.
 Data: <  &#191;&#166;&#246;           > 10 04 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018269519ED0, 16 bytes long.
 Data: <p &#191;&#166;&#246;           > 70 04 BF A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000182695192A0, 16 bytes long.
 Data: < &#192;&#189;&#166;&#246;           > 18 C0 BD A6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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