Task 38605738

Name TYK2_A15_A07_r0_3-QUICO_ATM_GAFF2_NAGL_TYK2-4-5-RND2109_0
Workunit 31559572
Created 14 Apr 2026, 1:35:44 UTC
Sent 14 Apr 2026, 1:35:51 UTC
Report deadline 19 Apr 2026, 1:35:51 UTC
Received 14 Apr 2026, 18:12:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651975
Run time 5 hours 35 min 22 sec
CPU time 5 hours 15 min 55 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 29,685.94 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.93 MB
Peak swap size 13.08 GB
Peak disk usage 3.07 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:36:14 (51968): wrapper (7.9.26016): starting
14:36:14 (51968): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A07_0.pdb
QB_A15_A07_0.xml
QB_A15_A07.inpcrd
QB_A15_A07_input.yaml
QB_A15_A07.pdb
QB_A15_A07.prmtop
QB_A15_A07_sys.xml
run.bat
run.sh
14:36:15 (51968): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:36:15 (51968): 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\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:\Boinc\004\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
20:11:11 (51968): C:/Windows/system32/cmd.exe exited; CPU time 18955.437500
20:11:11 (51968): 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: 610016431 bytes.
Dumping objects ->
{3835541} normal block at 0x000001423E164610, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835530} normal block at 0x000001423FEF0C20, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835519} normal block at 0x000001423FEF1A60, 32 bytes long.
 Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34 
{3835508} normal block at 0x000001423FEF0980, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835497} normal block at 0x000001423FEF10A0, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835466} normal block at 0x000001423E164CA0, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835455} normal block at 0x000001423E1BC700, 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) : {3835452} normal block at 0x000001423E15DCD0, 8 bytes long.
 Data: <   >B   > 00 00 12 3E 42 01 00 00 
{3834677} normal block at 0x000001423E1BB450, 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 0x000001423E15D640, 8 bytes long.
 Data: < [&#243;?B   > 10 5B F3 3F 42 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001423E150A40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001423E152280, 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 0x000001423E165660, 16 bytes long.
 Data: < d >B           > 98 64 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001423E165B60, 16 bytes long.
 Data: <pd >B           > 70 64 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001423E160C80, 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 0x000001423E165430, 16 bytes long.
 Data: <Hd >B           > 48 64 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001423E165F20, 16 bytes long.
 Data: < d >B           > 20 64 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001423E165890, 16 bytes long.
 Data: <&#248;c >B           > F8 63 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001423E1653E0, 16 bytes long.
 Data: <&#208;c >B           > D0 63 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001423E164680, 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 0x000001423E165ED0, 16 bytes long.
 Data: <   >B           > 88 06 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001423E161460, 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 0x000001423E165200, 16 bytes long.
 Data: <`  >B           > 60 06 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001423E165CF0, 16 bytes long.
 Data: <8  >B           > 38 06 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001423E1654D0, 16 bytes long.
 Data: <   >B           > 10 06 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001423E165C00, 16 bytes long.
 Data: <&#232;  >B           > E8 05 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001423E1657F0, 16 bytes long.
 Data: <&#192;  >B           > C0 05 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001423E165340, 16 bytes long.
 Data: <   >B           > 98 05 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001423E1607A0, 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 0x000001423E1657A0, 16 bytes long.
 Data: <p  >B           > 70 05 15 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001423E150570, 320 bytes long.
 Data: <&#160;W >B   &#160;  >B   > A0 57 16 3E 42 01 00 00 A0 07 16 3E 42 01 00 00 
{270} normal block at 0x000001423E165DE0, 16 bytes long.
 Data: <&#176;c >B           > B0 63 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001423E165C50, 16 bytes long.
 Data: < c >B           > 88 63 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001423E160BC0, 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 0x000001423E165CA0, 16 bytes long.
 Data: <`c >B           > 60 63 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001423E160E00, 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 0x000001423E165E80, 16 bytes long.
 Data: <&#168;b >B           > A8 62 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001423E165D90, 16 bytes long.
 Data: < b >B           > 80 62 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001423E165D40, 16 bytes long.
 Data: <Xb >B           > 58 62 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001423E165BB0, 16 bytes long.
 Data: <0b >B           > 30 62 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001423E165610, 16 bytes long.
 Data: < b >B           > 08 62 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001423E1655C0, 16 bytes long.
 Data: <&#224;a >B           > E0 61 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001423E1660B0, 16 bytes long.
 Data: < J >B           > 00 4A 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001423E164A00, 40 bytes long.
 Data: <&#176;` >B   &#160;L >B   > B0 60 16 3E 42 01 00 00 A0 4C 16 3E 42 01 00 00 
{256} normal block at 0x000001423E1652F0, 16 bytes long.
 Data: <&#192;a >B           > C0 61 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001423E165570, 16 bytes long.
 Data: < a >B           > 98 61 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001423E160DA0, 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 0x000001423E165A70, 16 bytes long.
 Data: <pa >B           > 70 61 16 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001423E166170, 992 bytes long.
 Data: <pZ >B   &#160;  >B   > 70 5A 16 3E 42 01 00 00 A0 0D 16 3E 42 01 00 00 
{88} normal block at 0x000001423E160FE0, 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 0x000001423E15D960, 16 bytes long.
 Data: < &#237; >B           > 90 ED 14 3E 42 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001423E14ED90, 40 bytes long.
 Data: <`&#217; >B   &#224;  >B   > 60 D9 15 3E 42 01 00 00 E0 0F 16 3E 42 01 00 00 
{65} normal block at 0x000001423E15DB40, 16 bytes long.
 Data: < &#234;d&#158;&#246;           > 80 EA 64 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001423E15CFB0, 16 bytes long.
 Data: <@&#233;d&#158;&#246;           > 40 E9 64 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001423E15DA50, 16 bytes long.
 Data: <&#248;Wa&#158;&#246;           > F8 57 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001423E15D050, 16 bytes long.
 Data: <&#216;Wa&#158;&#246;           > D8 57 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001423E15D690, 16 bytes long.
 Data: <P a&#158;&#246;           > 50 04 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001423E15DAF0, 16 bytes long.
 Data: <0 a&#158;&#246;           > 30 04 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001423E15D5F0, 16 bytes long.
 Data: <&#224; a&#158;&#246;           > E0 02 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001423E15DBE0, 16 bytes long.
 Data: <  a&#158;&#246;           > 10 04 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001423E15D9B0, 16 bytes long.
 Data: <p a&#158;&#246;           > 70 04 61 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001423E15D780, 16 bytes long.
 Data: < &#192;_&#158;&#246;           > 18 C0 5F 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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