Task 38620168
| Name | HIF2A_2_A27_A19_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-5-6-RND7962_0 |
| Workunit | 31571429 |
| Created | 19 Apr 2026, 6:10:28 UTC |
| Sent | 19 Apr 2026, 6:10:34 UTC |
| Report deadline | 24 Apr 2026, 6:10:34 UTC |
| Received | 19 Apr 2026, 8:48:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648980 |
| Run time | 1 hours 50 min 27 sec |
| CPU time | 1 hours 47 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 115,556.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 487.04 MB |
| Peak swap size | 6.82 GB |
| Peak disk usage | 2.89 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
02:58:46 (39500): wrapper (7.9.26016): starting
02:58:46 (39500): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A19_0.pdb
QB_A27_A19_0.xml
QB_A27_A19.inpcrd
QB_A27_A19_input.yaml
QB_A27_A19.pdb
QB_A27_A19.prmtop
QB_A27_A19_sys.xml
run.bat
run.sh
02:58:47 (39500): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:58:47 (39500): 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:\ProgramData\BOINC\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 'D:\ProgramData\BOINC\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
04:48:15 (39500): C:/Windows/system32/cmd.exe exited; CPU time 6434.203125
04:48:15 (39500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 138110893 bytes.
Dumping objects ->
{3835578} normal block at 0x000001CF4671D9D0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835567} normal block at 0x000001CF44B35CB0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835556} normal block at 0x000001CF44B357E0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835545} normal block at 0x000001CF44B35C40, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835534} normal block at 0x000001CF44B359A0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835503} normal block at 0x000001CF46769F00, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835490} normal block at 0x000001CF44B2DA10, 8 bytes long.
Data: < EÏ > 00 00 08 45 CF 01 00 00
{3833959} normal block at 0x000001CF44B2DB00, 8 bytes long.
Data: < F|FÏ > 00 46 7C 46 CF 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CF44B210F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CF44B228A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001CF44B36BC0, 16 bytes long.
Data: <¨t³DÏ > A8 74 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CF44B36800, 16 bytes long.
Data: < t³DÏ > 80 74 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CF44B2FBC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001CF44B36B20, 16 bytes long.
Data: <Xt³DÏ > 58 74 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CF44B36FD0, 16 bytes long.
Data: <0t³DÏ > 30 74 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CF44B36580, 16 bytes long.
Data: < t³DÏ > 08 74 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CF44B37070, 16 bytes long.
Data: <às³DÏ > E0 73 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CF44B35770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001CF44B37110, 16 bytes long.
Data: < ²DÏ > 18 04 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CF44B2FE00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001CF44B36A80, 16 bytes long.
Data: <ð ²DÏ > F0 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CF44B36D50, 16 bytes long.
Data: <È ²DÏ > C8 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CF44B36210, 16 bytes long.
Data: <  ²DÏ > A0 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CF44B365D0, 16 bytes long.
Data: <x ²DÏ > 78 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CF44B37020, 16 bytes long.
Data: <P ²DÏ > 50 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CF44B36670, 16 bytes long.
Data: <( ²DÏ > 28 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CF44B2FF20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001CF44B36940, 16 bytes long.
Data: < ²DÏ > 00 03 B2 44 CF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CF44B20300, 320 bytes long.
Data: <@i³DÏ ÿ²DÏ > 40 69 B3 44 CF 01 00 00 20 FF B2 44 CF 01 00 00
{275} normal block at 0x000001CF44B36440, 16 bytes long.
Data: <Às³DÏ > C0 73 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CF44B36D00, 16 bytes long.
Data: < s³DÏ > 98 73 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CF44B2FC20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001CF44B36F80, 16 bytes long.
Data: <ps³DÏ > 70 73 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CF44B2FCE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001CF44B36C60, 16 bytes long.
Data: <¸r³DÏ > B8 72 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CF44B36530, 16 bytes long.
Data: < r³DÏ > 90 72 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CF44B363A0, 16 bytes long.
Data: <hr³DÏ > 68 72 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CF44B36DF0, 16 bytes long.
Data: <@r³DÏ > 40 72 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CF44B36F30, 16 bytes long.
Data: < r³DÏ > 18 72 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CF44B364E0, 16 bytes long.
Data: <ðq³DÏ > F0 71 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CF44B36260, 16 bytes long.
Data: <°U³DÏ > B0 55 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CF44B355B0, 40 bytes long.
Data: <`b³DÏ ŸvFÏ > 60 62 B3 44 CF 01 00 00 00 9F 76 46 CF 01 00 00
{261} normal block at 0x000001CF44B36E90, 16 bytes long.
Data: <Ðq³DÏ > D0 71 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CF44B36A30, 16 bytes long.
Data: <¨q³DÏ > A8 71 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CF44B30640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001CF44B36EE0, 16 bytes long.
Data: < q³DÏ > 80 71 B3 44 CF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CF44B37180, 992 bytes long.
Data: <àn³DÏ @ ³DÏ > E0 6E B3 44 CF 01 00 00 40 06 B3 44 CF 01 00 00
{93} normal block at 0x000001CF44B30A00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001CF44B2E500, 16 bytes long.
Data: <@ô±DÏ > 40 F4 B1 44 CF 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001CF44B1F440, 40 bytes long.
Data: < å²DÏ ³DÏ > 00 E5 B2 44 CF 01 00 00 00 0A B3 44 CF 01 00 00
{70} normal block at 0x000001CF44B2E4B0, 16 bytes long.
Data: < ê°”ö > 80 EA B0 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CF44B2DC40, 16 bytes long.
Data: <@é°”ö > 40 E9 B0 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CF44B2DA60, 16 bytes long.
Data: <øW­”ö > F8 57 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CF44B2DBF0, 16 bytes long.
Data: <ØW­”ö > D8 57 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CF44B2E780, 16 bytes long.
Data: <P ­”ö > 50 04 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CF44B2E3C0, 16 bytes long.
Data: <0 ­”ö > 30 04 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CF44B2DE20, 16 bytes long.
Data: <à ­”ö > E0 02 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CF44B2E050, 16 bytes long.
Data: < ­”ö > 10 04 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CF44B2E730, 16 bytes long.
Data: <p ­”ö > 70 04 AD 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CF44B2E0A0, 16 bytes long.
Data: < À«”ö > 18 C0 AB 94 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra