Task 38614596
| Name | HIF2A_2_A28_A04_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND3702_0 |
| Workunit | 31566957 |
| Created | 17 Apr 2026, 13:41:02 UTC |
| Sent | 17 Apr 2026, 13:41:47 UTC |
| Report deadline | 22 Apr 2026, 13:41:47 UTC |
| Received | 18 Apr 2026, 9:14:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 525469 |
| Run time | 3 hours 31 min 28 sec |
| CPU time | 3 hours 27 min 19 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 8,882.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 447.27 MB |
| Peak swap size | 6.48 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:43:08 (49688): wrapper (7.9.26016): starting
22:43:08 (49688): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A04_0.pdb
QB_A28_A04_0.xml
QB_A28_A04.inpcrd
QB_A28_A04_input.yaml
QB_A28_A04.pdb
QB_A28_A04.prmtop
QB_A28_A04_sys.xml
run.bat
run.sh
22:43:09 (49688): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:43:09 (49688): 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
02:13:22 (49688): C:/Windows/system32/cmd.exe exited; CPU time 12439.437500
02:13:22 (49688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 237375295 bytes.
Dumping objects ->
{3835452} normal block at 0x00000210CD225290, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x00000210CD2253E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835430} normal block at 0x00000210CD225370, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835419} normal block at 0x00000210CD225220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835408} normal block at 0x00000210CD2251B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835377} normal block at 0x00000210CEF1B5B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835366} normal block at 0x00000210CEF2F0E0, 102 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) : {3835363} normal block at 0x00000210CD21DF90, 8 bytes long.
Data: < `Í > 00 00 60 CD 10 02 00 00
{3834643} normal block at 0x00000210CEF2EF80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x00000210CD21E210, 8 bytes long.
Data: <0Q÷Î > 30 51 F7 CE 10 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000210CD210AC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000210CD2128E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000210CD225F60, 16 bytes long.
Data: <Èo"Í > C8 6F 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000210CD226BE0, 16 bytes long.
Data: < o"Í > A0 6F 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000210CD21FF70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000210CD226B40, 16 bytes long.
Data: <xo"Í > 78 6F 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000210CD225F10, 16 bytes long.
Data: <Po"Í > 50 6F 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000210CD226A00, 16 bytes long.
Data: <(o"Í > 28 6F 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000210CD225EC0, 16 bytes long.
Data: < o"Í > 00 6F 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000210CD2254C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000210CD226960, 16 bytes long.
Data: <¨ô Í > A8 F4 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000210CD21FCD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000210CD225E20, 16 bytes long.
Data: < ô Í > 80 F4 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000210CD2269B0, 16 bytes long.
Data: <Xô Í > 58 F4 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000210CD226AF0, 16 bytes long.
Data: <0ô Í > 30 F4 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000210CD225DD0, 16 bytes long.
Data: < ô Í > 08 F4 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000210CD225D80, 16 bytes long.
Data: <àó Í > E0 F3 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000210CD2265F0, 16 bytes long.
Data: <¸ó Í > B8 F3 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000210CD220570, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000210CD2265A0, 16 bytes long.
Data: < ó Í > 90 F3 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000210CD20F390, 320 bytes long.
Data: < e"Í p "Í > A0 65 22 CD 10 02 00 00 70 05 22 CD 10 02 00 00
{271} normal block at 0x00000210CD226550, 16 bytes long.
Data: <àn"Í > E0 6E 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000210CD226690, 16 bytes long.
Data: <¸n"Í > B8 6E 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000210CD2201B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000210CD226640, 16 bytes long.
Data: < n"Í > 90 6E 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000210CD220090, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000210CD226B90, 16 bytes long.
Data: <Øm"Í > D8 6D 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000210CD226500, 16 bytes long.
Data: <°m"Í > B0 6D 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000210CD2260A0, 16 bytes long.
Data: < m"Í > 88 6D 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000210CD2268C0, 16 bytes long.
Data: <`m"Í > 60 6D 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000210CD2262D0, 16 bytes long.
Data: <8m"Í > 38 6D 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000210CD226280, 16 bytes long.
Data: < m"Í > 10 6D 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000210CD226460, 16 bytes long.
Data: < S"Í > 00 53 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000210CD225300, 40 bytes long.
Data: <`d"Í °µñÎ > 60 64 22 CD 10 02 00 00 B0 B5 F1 CE 10 02 00 00
{257} normal block at 0x00000210CD2264B0, 16 bytes long.
Data: <ðl"Í > F0 6C 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000210CD226910, 16 bytes long.
Data: <Èl"Í > C8 6C 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000210CD21F7F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000210CD225CE0, 16 bytes long.
Data: < l"Í > A0 6C 22 CD 10 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000210CD226CA0, 992 bytes long.
Data: <à\"Í ð÷!Í > E0 5C 22 CD 10 02 00 00 F0 F7 21 CD 10 02 00 00
{89} normal block at 0x00000210CD21FF10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000210CD21DA90, 16 bytes long.
Data: < Ô Í > 90 D4 20 CD 10 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000210CD20D490, 40 bytes long.
Data: < Ú!Í ÿ!Í > 90 DA 21 CD 10 02 00 00 10 FF 21 CD 10 02 00 00
{66} normal block at 0x00000210CD21E3A0, 16 bytes long.
Data: < ê]g÷ > 80 EA 5D 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000210CD21DEA0, 16 bytes long.
Data: <@é]g÷ > 40 E9 5D 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000210CD21D860, 16 bytes long.
Data: <øWZg÷ > F8 57 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000210CD21D9A0, 16 bytes long.
Data: <ØWZg÷ > D8 57 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000210CD21D720, 16 bytes long.
Data: <P Zg÷ > 50 04 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000210CD21D900, 16 bytes long.
Data: <0 Zg÷ > 30 04 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000210CD21DEF0, 16 bytes long.
Data: <à Zg÷ > E0 02 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000210CD21E170, 16 bytes long.
Data: < Zg÷ > 10 04 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000210CD21DC20, 16 bytes long.
Data: <p Zg÷ > 70 04 5A 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000210CD21E350, 16 bytes long.
Data: < ÀXg÷ > 18 C0 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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