Task 38618748
| Name | HIF2A_2_A39_A27_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND9447_0 |
| Workunit | 31570196 |
| Created | 18 Apr 2026, 15:26:26 UTC |
| Sent | 18 Apr 2026, 15:26:32 UTC |
| Report deadline | 23 Apr 2026, 15:26:32 UTC |
| Received | 18 Apr 2026, 18:38:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643315 |
| Run time | 2 hours 51 min 38 sec |
| CPU time | 2 hours 51 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 104,762.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 504.91 MB |
| Peak swap size | 12.86 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:51:20 (159888): wrapper (7.9.26016): starting
17:51:20 (159888): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A27_0.pdb
QB_A39_A27_0.xml
QB_A39_A27.inpcrd
QB_A39_A27_input.yaml
QB_A39_A27.pdb
QB_A39_A27.prmtop
QB_A39_A27_sys.xml
run.bat
run.sh
17:51:22 (159888): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:22 (159888): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' n'est pas reconnu en tant que commande interne
ou externe, un programme ex‚cutable ou un fichier de commandes.
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\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 'C:\ProgramData\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
20:38:01 (159888): C:/Windows/system32/cmd.exe exited; CPU time 10298.750000
20:38:01 (159888): 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: 207888599 bytes.
Dumping objects ->
{3835597} normal block at 0x000001B850DC94B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835586} normal block at 0x000001B850DCA1D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835575} normal block at 0x000001B850DC9A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835564} normal block at 0x000001B850DCA160, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835553} normal block at 0x000001B84EE6A770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835522} normal block at 0x000001B850D6CF70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835509} normal block at 0x000001B84EE670C0, 8 bytes long.
Data: < >O¸ > 00 00 3E 4F B8 01 00 00
{3833971} normal block at 0x000001B84EE66F80, 8 bytes long.
Data: < åèN¸ > 80 E5 E8 4E B8 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001B84EE51420, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B84EE52DD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001B84EE67340, 16 bytes long.
Data: <H²æN¸ > 48 B2 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B84EE672F0, 16 bytes long.
Data: < ²æN¸ > 20 B2 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B84EE64160, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001B84EE66E40, 16 bytes long.
Data: <ø±æN¸ > F8 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B84EE66DF0, 16 bytes long.
Data: <бæN¸ > D0 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B84EE66CB0, 16 bytes long.
Data: <¨±æN¸ > A8 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B84EE66A80, 16 bytes long.
Data: < ±æN¸ > 80 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B84EE6A5B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001B84EE67570, 16 bytes long.
Data: <X¬æN¸ > 58 AC E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B84EE64D00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001B84EE67660, 16 bytes long.
Data: <0¬æN¸ > 30 AC E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B84EE66C60, 16 bytes long.
Data: < ¬æN¸ > 08 AC E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B84EE672A0, 16 bytes long.
Data: <à«æN¸ > E0 AB E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B84EE66990, 16 bytes long.
Data: <¸«æN¸ > B8 AB E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B84EE67110, 16 bytes long.
Data: < «æN¸ > 90 AB E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B84EE66DA0, 16 bytes long.
Data: <h«æN¸ > 68 AB E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B84EE647C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001B84EE67700, 16 bytes long.
Data: <@«æN¸ > 40 AB E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B84EE6AB40, 320 bytes long.
Data: < wæN¸ ÀGæN¸ > 00 77 E6 4E B8 01 00 00 C0 47 E6 4E B8 01 00 00
{281} normal block at 0x000001B84EE67520, 16 bytes long.
Data: <`±æN¸ > 60 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B84EE67020, 16 bytes long.
Data: <8±æN¸ > 38 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B84EE64100, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001B84EE66940, 16 bytes long.
Data: < ±æN¸ > 10 B1 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B84EE64400, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001B84EE67200, 16 bytes long.
Data: <X°æN¸ > 58 B0 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B84EE66D50, 16 bytes long.
Data: <0°æN¸ > 30 B0 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B84EE66D00, 16 bytes long.
Data: < °æN¸ > 08 B0 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B84EE67840, 16 bytes long.
Data: <à¯æN¸ > E0 AF E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B84EE671B0, 16 bytes long.
Data: <¸¯æN¸ > B8 AF E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B84EE66FD0, 16 bytes long.
Data: < ¯æN¸ > 90 AF E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B84EE67610, 16 bytes long.
Data: < ªæN¸ > 10 AA E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B84EE6AA10, 40 bytes long.
Data: < væN¸ pÏÖP¸ > 10 76 E6 4E B8 01 00 00 70 CF D6 50 B8 01 00 00
{267} normal block at 0x000001B84EE66F30, 16 bytes long.
Data: <p¯æN¸ > 70 AF E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B84EE66C10, 16 bytes long.
Data: <H¯æN¸ > 48 AF E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B84EE64CA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001B84EE67750, 16 bytes long.
Data: < ¯æN¸ > 20 AF E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B84EE6AF20, 992 bytes long.
Data: <PwæN¸  LæN¸ > 50 77 E6 4E B8 01 00 00 A0 4C E6 4E B8 01 00 00
{99} normal block at 0x000001B84EE64220, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001B84EE675C0, 16 bytes long.
Data: <0©æN¸ > 30 A9 E6 4E B8 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001B84EE6A930, 40 bytes long.
Data: <ÀuæN¸ BæN¸ > C0 75 E6 4E B8 01 00 00 20 42 E6 4E B8 01 00 00
{76} normal block at 0x000001B84EE5E1C0, 16 bytes long.
Data: < êØœ÷ > 80 EA D8 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B84EE5E170, 16 bytes long.
Data: <@éØœ÷ > 40 E9 D8 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001B84EE5DCC0, 16 bytes long.
Data: <øWÕœ÷ > F8 57 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B84EE5DC20, 16 bytes long.
Data: <ØWÕœ÷ > D8 57 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B84EE5D770, 16 bytes long.
Data: <P Õœ÷ > 50 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B84EE5E670, 16 bytes long.
Data: <0 Õœ÷ > 30 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B84EE5D950, 16 bytes long.
Data: <à Õœ÷ > E0 02 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B84EE5DB80, 16 bytes long.
Data: < Õœ÷ > 10 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B84EE5DB30, 16 bytes long.
Data: <p Õœ÷ > 70 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B84EE5D720, 16 bytes long.
Data: < ÀÓœ÷ > 18 C0 D3 9C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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