Task 38614789
| Name | HIF2A_2_A32_A17_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND0887_0 |
| Workunit | 31567148 |
| Created | 17 Apr 2026, 13:44:18 UTC |
| Sent | 17 Apr 2026, 13:53:42 UTC |
| Report deadline | 22 Apr 2026, 13:53:42 UTC |
| Received | 17 Apr 2026, 18:53:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638645 |
| Run time | 3 hours 2 min 55 sec |
| CPU time | 3 hours 2 min 55 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,927.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 462.65 MB |
| Peak swap size | 12.51 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
17:50:03 (14564): wrapper (7.9.26016): starting
17:50:03 (14564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A17_0.pdb
QB_A32_A17_0.xml
QB_A32_A17.inpcrd
QB_A32_A17_input.yaml
QB_A32_A17.pdb
QB_A32_A17.prmtop
QB_A32_A17_sys.xml
run.bat
run.sh
17:50:04 (14564): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:50:04 (14564): 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:\ProgramData\BOINC\slots\32\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:\ProgramData\BOINC\slots\32\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
20:51:17 (14564): C:/Windows/system32/cmd.exe exited; CPU time 10975.703125
20:51:17 (14564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 153971819 bytes.
Dumping objects ->
{3835652} normal block at 0x000001CE99CE5E80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835641} normal block at 0x000001CE99CE63C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835630} normal block at 0x000001CE99CE6190, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835619} normal block at 0x000001CE99CE5D30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835608} normal block at 0x000001CE99CE6040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835577} normal block at 0x000001CE9B7CB200, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x000001CE99CB7700, 200 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) : {3835563} normal block at 0x000001CE99CB6020, 8 bytes long.
Data: < É Î > 00 00 C9 99 CE 01 00 00
{3834735} normal block at 0x000001CE99CB84D0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001CE99CB6750, 8 bytes long.
Data: < ^†›Î > 20 5E 86 9B CE 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001CE99CC1220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CE99CA5B30, 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 0x000001CE99CC2620, 16 bytes long.
Data: < 3Ì Î > 18 33 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CE99CC2990, 16 bytes long.
Data: <ð2Ì Î > F0 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CE99CBD0C0, 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 0x000001CE99CC25D0, 16 bytes long.
Data: <È2Ì Î > C8 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CE99CC2800, 16 bytes long.
Data: < 2Ì Î > A0 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CE99CC2440, 16 bytes long.
Data: <x2Ì Î > 78 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CE99CC2C60, 16 bytes long.
Data: <P2Ì Î > 50 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CE99CBAE10, 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 0x000001CE99CC20D0, 16 bytes long.
Data: <ÈZÊ Î > C8 5A CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CE99CBD060, 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 0x000001CE99CC2850, 16 bytes long.
Data: < ZÊ Î > A0 5A CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CE99CC23F0, 16 bytes long.
Data: <xZÊ Î > 78 5A CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CE99CC2580, 16 bytes long.
Data: <PZÊ Î > 50 5A CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CE99CC2350, 16 bytes long.
Data: <(ZÊ Î > 28 5A CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CE99CC22B0, 16 bytes long.
Data: < ZÊ Î > 00 5A CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CE99CC2260, 16 bytes long.
Data: <ØYÊ Î > D8 59 CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CE99CBCFA0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x000001CE99CC28F0, 16 bytes long.
Data: <°YÊ Î > B0 59 CA 99 CE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CE99CA59B0, 320 bytes long.
Data: <ð(Ì Î  ÏË Î > F0 28 CC 99 CE 01 00 00 A0 CF CB 99 CE 01 00 00
{268} normal block at 0x000001CE99CC28A0, 16 bytes long.
Data: <02Ì Î > 30 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CE99CC2AD0, 16 bytes long.
Data: < 2Ì Î > 08 32 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CE99CBCA60, 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 0x000001CE99CC24E0, 16 bytes long.
Data: <à1Ì Î > E0 31 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CE99CBC9A0, 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 0x000001CE99CC2210, 16 bytes long.
Data: <(1Ì Î > 28 31 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CE99CC2530, 16 bytes long.
Data: < 1Ì Î > 00 31 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CE99CC2BC0, 16 bytes long.
Data: <Ø0Ì Î > D8 30 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CE99CC2F30, 16 bytes long.
Data: <°0Ì Î > B0 30 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CE99CC2E40, 16 bytes long.
Data: < 0Ì Î > 88 30 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CE99CC2760, 16 bytes long.
Data: <`0Ì Î > 60 30 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CE99CC2300, 16 bytes long.
Data: <P¬Ë Î > 50 AC CB 99 CE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CE99CBAC50, 40 bytes long.
Data: < #Ì Î |›Î > 00 23 CC 99 CE 01 00 00 00 B2 7C 9B CE 01 00 00
{254} normal block at 0x000001CE99CC23A0, 16 bytes long.
Data: <@0Ì Î > 40 30 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001CE99CC21C0, 16 bytes long.
Data: < 0Ì Î > 18 30 CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001CE99CBCF40, 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 0x000001CE99CC2D50, 16 bytes long.
Data: <ð/Ì Î > F0 2F CC 99 CE 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001CE99CC2FF0, 992 bytes long.
Data: <P-Ì Î @ÏË Î > 50 2D CC 99 CE 01 00 00 40 CF CB 99 CE 01 00 00
{86} normal block at 0x000001CE99CBCEE0, 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 0x000001CE99CB5C10, 16 bytes long.
Data: < ­Ë Î > A0 AD CB 99 CE 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001CE99CBADA0, 40 bytes long.
Data: < \Ë Î àÎË Î > 10 5C CB 99 CE 01 00 00 E0 CE CB 99 CE 01 00 00
{63} normal block at 0x000001CE99CB5B20, 16 bytes long.
Data: < ê,§ö > 80 EA 2C A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CE99CB6430, 16 bytes long.
Data: <@é,§ö > 40 E9 2C A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CE99CB5BC0, 16 bytes long.
Data: <øW)§ö > F8 57 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CE99CB5AD0, 16 bytes long.
Data: <ØW)§ö > D8 57 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CE99CB5DA0, 16 bytes long.
Data: <P )§ö > 50 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CE99CB6570, 16 bytes long.
Data: <0 )§ö > 30 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001CE99CB6480, 16 bytes long.
Data: <à )§ö > E0 02 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001CE99CB5D00, 16 bytes long.
Data: < )§ö > 10 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001CE99CB63E0, 16 bytes long.
Data: <p )§ö > 70 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001CE99CB5A30, 16 bytes long.
Data: < À'§ö > 18 C0 27 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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