Task 38622087

Name HIF2A_2_A09_A10_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-5-6-RND5197_0
Workunit 31572901
Created 20 Apr 2026, 13:38:30 UTC
Sent 20 Apr 2026, 13:38:37 UTC
Report deadline 25 Apr 2026, 13:38:37 UTC
Received 21 Apr 2026, 2:27:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 2 hours 17 min 21 sec
CPU time 2 hours 7 min 26 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 22,593.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 492.57 MB
Peak swap size 9.53 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:12:39 (28556): wrapper (7.9.26016): starting
09:12:39 (28556): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
09:12:41 (28556): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:12:41 (28556): 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 'D:\BOINC\slots\0\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 'D:\BOINC\slots\0\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
11:25:25 (28556): C:/Windows/system32/cmd.exe exited; CPU time 7646.281250
11:25:25 (28556): 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: 124511357 bytes.
Dumping objects ->
{3846262} normal block at 0x0000020196F55DB0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3846251} normal block at 0x0000020199032610, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3846240} normal block at 0x0000020199031D10, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3846229} normal block at 0x00000201990325B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3846218} normal block at 0x0000020199032550, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3846187} normal block at 0x0000020196F55CD0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3846176} normal block at 0x0000020196FBA510, 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) : {3846173} normal block at 0x0000020196F4E0D0, 8 bytes long.
 Data: <        > 00 00 EA 96 01 02 00 00 
{3845451} normal block at 0x0000020196FBA1D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3844753} normal block at 0x0000020196F4E1C0, 8 bytes long.
 Data: <&#176;       > B0 E0 F3 96 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020196F41540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020196F42DE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020196F56510, 16 bytes long.
 Data: < v              > 18 76 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020196F56880, 16 bytes long.
 Data: < u              > F0 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020196F500E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020196F56F10, 16 bytes long.
 Data: <&#200;u              > C8 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020196F56380, 16 bytes long.
 Data: < u              > A0 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020196F567E0, 16 bytes long.
 Data: <xu              > 78 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020196F568D0, 16 bytes long.
 Data: <Pu              > 50 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020196F55790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020196F56C90, 16 bytes long.
 Data: <X               > 58 F3 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020196F50C80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020196F566F0, 16 bytes long.
 Data: <0               > 30 F3 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020196F56B50, 16 bytes long.
 Data: <                > 08 F3 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020196F564C0, 16 bytes long.
 Data: <                > E0 F2 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020196F565B0, 16 bytes long.
 Data: <&#184;               > B8 F2 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020196F56BA0, 16 bytes long.
 Data: <                > 90 F2 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020196F56C40, 16 bytes long.
 Data: <h               > 68 F2 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020196F504A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020196F56B00, 16 bytes long.
 Data: <@               > 40 F2 F3 96 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020196F3F240, 320 bytes long.
 Data: < k              > 00 6B F5 96 01 02 00 00 A0 04 F5 96 01 02 00 00 
{280} normal block at 0x0000020196F571E0, 16 bytes long.
 Data: <0u              > 30 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020196F57050, 16 bytes long.
 Data: < u              > 08 75 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020196F50A40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020196F56EC0, 16 bytes long.
 Data: < t              > E0 74 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020196F4FFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020196F56AB0, 16 bytes long.
 Data: <(t              > 28 74 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020196F56740, 16 bytes long.
 Data: < t              > 00 74 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020196F56E70, 16 bytes long.
 Data: <&#216;s              > D8 73 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020196F56790, 16 bytes long.
 Data: <&#176;s              > B0 73 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020196F56A60, 16 bytes long.
 Data: < s              > 88 73 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020196F56FB0, 16 bytes long.
 Data: <`s              > 60 73 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020196F570F0, 16 bytes long.
 Data: < ^              > 20 5E F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020196F55E20, 40 bytes long.
 Data: < p      &#208;\      > F0 70 F5 96 01 02 00 00 D0 5C F5 96 01 02 00 00 
{266} normal block at 0x0000020196F56D80, 16 bytes long.
 Data: <@s              > 40 73 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020196F56420, 16 bytes long.
 Data: < s              > 18 73 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020196F50200, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020196F570A0, 16 bytes long.
 Data: < r              > F0 72 F5 96 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020196F572F0, 992 bytes long.
 Data: < p              > A0 70 F5 96 01 02 00 00 00 02 F5 96 01 02 00 00 
{98} normal block at 0x0000020196F509E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020196F4E3F0, 16 bytes long.
 Data: <p               > 70 02 F4 96 01 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020196F40270, 40 bytes long.
 Data: <         	      > F0 E3 F4 96 01 02 00 00 E0 09 F5 96 01 02 00 00 
{73} normal block at 0x0000020196F4DB80, 16 bytes long.
 Data: <                > 80 EA 1E 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020196F4DAE0, 16 bytes long.
 Data: <@               > 40 E9 1E 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020196F4E300, 16 bytes long.
 Data: < W              > F8 57 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020196F4DDB0, 16 bytes long.
 Data: <&#216;W              > D8 57 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020196F4DD60, 16 bytes long.
 Data: <P               > 50 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020196F4DEA0, 16 bytes long.
 Data: <0               > 30 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020196F4E9E0, 16 bytes long.
 Data: <                > E0 02 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020196F4DC70, 16 bytes long.
 Data: <                > 10 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020196F4DCC0, 16 bytes long.
 Data: <p               > 70 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020196F4DA90, 16 bytes long.
 Data: < &#192;              > 18 C0 19 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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