Task 38581389

Name HIF2A_A17_A24_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8615_0
Workunit 31545913
Created 12 Dec 2025, 10:46:44 UTC
Sent 12 Dec 2025, 10:47:23 UTC
Report deadline 17 Dec 2025, 10:47:23 UTC
Received 13 Dec 2025, 7:34:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642528
Run time 6 hours 32 min 44 sec
CPU time 6 hours 11 min 8 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 7,992.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 442.61 MB
Peak swap size 4.20 GB
Peak disk usage 2.94 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:56:27 (5880): wrapper (7.9.26016): starting
01:56:27 (5880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A24_0.pdb
QB_A17_A24_0.xml
QB_A17_A24_equil.pdb
QB_A17_A24.inpcrd
QB_A17_A24_input.yaml
QB_A17_A24_mdlambda.pdb
QB_A17_A24_min.pdb
QB_A17_A24_npt.pdb
QB_A17_A24.pdb
QB_A17_A24.prmtop
QB_A17_A24_sys.xml
QB_A17_A24_therm.pdb
run.bat
run.sh
01:56:35 (5880): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:56:35 (5880): 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 'B:\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 'B:\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
08:34:32 (5880): C:/Windows/system32/cmd.exe exited; CPU time 22268.640625
08:34:32 (5880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 256688753 bytes.
Dumping objects ->
{3835174} normal block at 0x0000020F37406180, 48 bytes long.
 Data: <PATH=B:\boinc\sl> 50 41 54 48 3D 42 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835163} normal block at 0x0000020F38FB49D0, 32 bytes long.
 Data: <HOME=B:\boinc\sl> 48 4F 4D 45 3D 42 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835152} normal block at 0x0000020F38FB3DD0, 32 bytes long.
 Data: <TMP=B:\boinc\slo> 54 4D 50 3D 42 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835141} normal block at 0x0000020F38FB4010, 32 bytes long.
 Data: <TEMP=B:\boinc\sl> 54 45 4D 50 3D 42 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835130} normal block at 0x0000020F38FB3EF0, 32 bytes long.
 Data: <TMPDIR=B:\boinc\> 54 4D 50 44 49 52 3D 42 3A 5C 62 6F 69 6E 63 5C 
{3835099} normal block at 0x0000020F374055B0, 48 bytes long.
 Data: <PATH=B:\boinc\sl> 50 41 54 48 3D 42 3A 5C 62 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835086} normal block at 0x0000020F373D6760, 8 bytes long.
 Data: <  &#206;8    > 00 00 CE 38 0F 02 00 00 
{3833945} normal block at 0x0000020F373D6440, 8 bytes long.
 Data: <&#240;W 9    > F0 57 00 39 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020F373E1140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F373CADB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000020F373E2F40, 16 bytes long.
 Data: <x3>7            > 78 33 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020F373E2220, 16 bytes long.
 Data: <P3>7            > 50 33 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F373DBCC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000020F373E2310, 16 bytes long.
 Data: <(3>7            > 28 33 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F373E2BD0, 16 bytes long.
 Data: < 3>7            > 00 33 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F373E2400, 16 bytes long.
 Data: <&#216;2>7            > D8 32 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020F373E2630, 16 bytes long.
 Data: <&#176;2>7            > B0 32 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F373DA7F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000020F373E25E0, 16 bytes long.
 Data: < Z<7            > 88 5A 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F373DBA20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000020F373E2B30, 16 bytes long.
 Data: <`Z<7            > 60 5A 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F373E2540, 16 bytes long.
 Data: <8Z<7            > 38 5A 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020F373E2AE0, 16 bytes long.
 Data: < Z<7            > 10 5A 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F373E27C0, 16 bytes long.
 Data: <&#232;Y<7            > E8 59 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F373E2090, 16 bytes long.
 Data: <&#192;Y<7            > C0 59 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020F373E2A90, 16 bytes long.
 Data: < Y<7            > 98 59 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F373DBD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000020F373E2D10, 16 bytes long.
 Data: <pY<7            > 70 59 3C 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F373C5970, 320 bytes long.
 Data: < ->7     &#189;=7    > 10 2D 3E 37 0F 02 00 00 80 BD 3D 37 0F 02 00 00 
{268} normal block at 0x0000020F373E2950, 16 bytes long.
 Data: < 2>7            > 90 32 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F373E2EF0, 16 bytes long.
 Data: <h2>7            > 68 32 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F373DC500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000020F373E2130, 16 bytes long.
 Data: <@2>7            > 40 32 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F373DC4A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000020F373E2900, 16 bytes long.
 Data: < 1>7            > 88 31 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F373E23B0, 16 bytes long.
 Data: <`1>7            > 60 31 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F373E28B0, 16 bytes long.
 Data: <81>7            > 38 31 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F373E2EA0, 16 bytes long.
 Data: < 1>7            > 10 31 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F373E2CC0, 16 bytes long.
 Data: <&#232;0>7            > E8 30 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F373E2A40, 16 bytes long.
 Data: <&#192;0>7            > C0 30 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020F373E29F0, 16 bytes long.
 Data: <&#208;&#168;=7            > D0 A8 3D 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020F373DA8D0, 40 bytes long.
 Data: <&#240;)>7    &#176;U@7    > F0 29 3E 37 0F 02 00 00 B0 55 40 37 0F 02 00 00 
{254} normal block at 0x0000020F373E2FE0, 16 bytes long.
 Data: <&#160;0>7            > A0 30 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020F373E2C20, 16 bytes long.
 Data: <x0>7            > 78 30 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020F373DBC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000020F373E2B80, 16 bytes long.
 Data: <P0>7            > 50 30 3E 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020F373E3050, 992 bytes long.
 Data: < +>7    `&#188;=7    > 80 2B 3E 37 0F 02 00 00 60 BC 3D 37 0F 02 00 00 
{86} normal block at 0x0000020F373DC440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000020F373D5D60, 16 bytes long.
 Data: <0&#173;=7            > 30 AD 3D 37 0F 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020F373DAD30, 40 bytes long.
 Data: <`]=7    @&#196;=7    > 60 5D 3D 37 0F 02 00 00 40 C4 3D 37 0F 02 00 00 
{63} normal block at 0x0000020F373D64E0, 16 bytes long.
 Data: < &#234;3&#196;&#246;           > 80 EA 33 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F373D5E00, 16 bytes long.
 Data: <@&#233;3&#196;&#246;           > 40 E9 33 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F373D68A0, 16 bytes long.
 Data: <&#248;W0&#196;&#246;           > F8 57 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020F373D5D10, 16 bytes long.
 Data: <&#216;W0&#196;&#246;           > D8 57 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F373D63A0, 16 bytes long.
 Data: <P 0&#196;&#246;           > 50 04 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020F373D5FE0, 16 bytes long.
 Data: <0 0&#196;&#246;           > 30 04 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020F373D5CC0, 16 bytes long.
 Data: <&#224; 0&#196;&#246;           > E0 02 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020F373D59A0, 16 bytes long.
 Data: <  0&#196;&#246;           > 10 04 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020F373D6300, 16 bytes long.
 Data: <p 0&#196;&#246;           > 70 04 30 C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020F373D60D0, 16 bytes long.
 Data: < &#192;.&#196;&#246;           > 18 C0 2E C4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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