Task 38621000
| Name | HIF2A_2_A37_A07_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND2403_1 |
| Workunit | 31571666 |
| Created | 19 Apr 2026, 14:36:33 UTC |
| Sent | 19 Apr 2026, 14:36:38 UTC |
| Report deadline | 24 Apr 2026, 14:36:38 UTC |
| Received | 20 Apr 2026, 12:35:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648432 |
| Run time | 2 hours 23 min 29 sec |
| CPU time | 2 hours 21 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,936.64 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 426.32 MB |
| Peak swap size | 6.49 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:17:38 (19956): wrapper (7.9.26016): starting
11:17:38 (19956): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A07_0.pdb
QB_A37_A07_0.xml
QB_A37_A07.inpcrd
QB_A37_A07_input.yaml
QB_A37_A07.pdb
QB_A37_A07.prmtop
QB_A37_A07_sys.xml
run.bat
run.sh
11:17:39 (19956): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:17:39 (19956): 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\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
13:40:28 (19956): C:/Windows/system32/cmd.exe exited; CPU time 8496.671875
13:40:28 (19956): 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: 165344245 bytes.
Dumping objects ->
{3835570} normal block at 0x000001E9E51208B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835559} normal block at 0x000001E9E5120D80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x000001E9E51211E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835537} normal block at 0x000001E9E5121480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835526} normal block at 0x000001E9E51215D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835495} normal block at 0x000001E9E51D0B00, 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) : {3835482} normal block at 0x000001E9E354D600, 8 bytes long.
Data: < Pãé > 00 00 50 E3 E9 01 00 00
{3833973} normal block at 0x000001E9E354D650, 8 bytes long.
Data: < ãSãé > 20 E3 53 E3 E9 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001E9E3543310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001E9E3540560, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001E9E3559D80, 16 bytes long.
Data: <8©Uãé > 38 A9 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001E9E3559740, 16 bytes long.
Data: < ©Uãé > 10 A9 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E9E3552900, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001E9E355A410, 16 bytes long.
Data: <è¨Uãé > E8 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E9E355A3C0, 16 bytes long.
Data: <À¨Uãé > C0 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E9E3559D30, 16 bytes long.
Data: < ¨Uãé > 98 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E9E355A370, 16 bytes long.
Data: <p¨Uãé > 70 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E9E3555050, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001E9E355A0F0, 16 bytes long.
Data: <X'Tãé > 58 27 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E9E3552D20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001E9E355A0A0, 16 bytes long.
Data: <0'Tãé > 30 27 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E9E3559AB0, 16 bytes long.
Data: < 'Tãé > 08 27 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E9E355A050, 16 bytes long.
Data: <à&Tãé > E0 26 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E9E355A000, 16 bytes long.
Data: <¸&Tãé > B8 26 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E9E35596F0, 16 bytes long.
Data: < &Tãé > 90 26 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E9E355A500, 16 bytes long.
Data: <h&Tãé > 68 26 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E9E3553380, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001E9E3559C90, 16 bytes long.
Data: <@&Tãé > 40 26 54 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E9E3542640, 320 bytes long.
Data: < œUãé 3Uãé > 90 9C 55 E3 E9 01 00 00 80 33 55 E3 E9 01 00 00
{282} normal block at 0x000001E9E3559880, 16 bytes long.
Data: <P¨Uãé > 50 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E9E35599C0, 16 bytes long.
Data: <(¨Uãé > 28 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E9E3553740, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001E9E35598D0, 16 bytes long.
Data: < ¨Uãé > 00 A8 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E9E35535C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001E9E355A230, 16 bytes long.
Data: <H§Uãé > 48 A7 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E9E3559FB0, 16 bytes long.
Data: < §Uãé > 20 A7 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E9E35596A0, 16 bytes long.
Data: <ø¦Uãé > F8 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E9E3559BF0, 16 bytes long.
Data: <ЦUãé > D0 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E9E3559970, 16 bytes long.
Data: <¨¦Uãé > A8 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E9E3559BA0, 16 bytes long.
Data: < ¦Uãé > 80 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E9E3559B00, 16 bytes long.
Data: < OUãé > 00 4F 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E9E3554F00, 40 bytes long.
Data: < ›Uãé åé > 00 9B 55 E3 E9 01 00 00 00 0B 1D E5 E9 01 00 00
{268} normal block at 0x000001E9E355A5A0, 16 bytes long.
Data: <`¦Uãé > 60 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E9E3559CE0, 16 bytes long.
Data: <8¦Uãé > 38 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E9E3552C00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001E9E3559B50, 16 bytes long.
Data: < ¦Uãé > 10 A6 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E9E355A610, 992 bytes long.
Data: <P›Uãé ,Uãé > 50 9B 55 E3 E9 01 00 00 00 2C 55 E3 E9 01 00 00
{100} normal block at 0x000001E9E3553680, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001E9E354D240, 16 bytes long.
Data: <0QUãé > 30 51 55 E3 E9 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001E9E3555130, 40 bytes long.
Data: <@ÒTãé 6Uãé > 40 D2 54 E3 E9 01 00 00 80 36 55 E3 E9 01 00 00
{77} normal block at 0x000001E9E354D560, 16 bytes long.
Data: < ê ö > 80 EA 01 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001E9E354D150, 16 bytes long.
Data: <@é ö > 40 E9 01 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001E9E354D2E0, 16 bytes long.
Data: <øWþ ö > F8 57 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E9E354DE70, 16 bytes long.
Data: <ØWþ ö > D8 57 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E9E354D1A0, 16 bytes long.
Data: <P þ ö > 50 04 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E9E354DD30, 16 bytes long.
Data: <0 þ ö > 30 04 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E9E354DB50, 16 bytes long.
Data: <à þ ö > E0 02 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E9E354D830, 16 bytes long.
Data: < þ ö > 10 04 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E9E354CF70, 16 bytes long.
Data: <p þ ö > 70 04 FE 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E9E354D470, 16 bytes long.
Data: < Àü ö > 18 C0 FC 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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