Task 38583202
| Name | HIF2A_A20_A37_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND0385_0 |
| Workunit | 31547374 |
| Created | 13 Dec 2025, 22:19:37 UTC |
| Sent | 13 Dec 2025, 22:19:43 UTC |
| Report deadline | 18 Dec 2025, 22:19:43 UTC |
| Received | 14 Dec 2025, 3:47:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610900 |
| Run time | 5 hours 4 min 22 sec |
| CPU time | 4 hours 57 min 17 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,991.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1,018.03 MB |
| Peak swap size | 9.55 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
17:31:29 (38300): wrapper (7.9.26016): starting
17:31:29 (38300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A37_0.pdb
QB_A20_A37_0.xml
QB_A20_A37_equil.pdb
QB_A20_A37.inpcrd
QB_A20_A37_input.yaml
QB_A20_A37_mdlambda.pdb
QB_A20_A37_min.pdb
QB_A20_A37_npt.pdb
QB_A20_A37.pdb
QB_A20_A37.prmtop
QB_A20_A37_sys.xml
QB_A20_A37_therm.pdb
run.bat
run.sh
17:31:32 (38300): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:32 (38300): 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\1\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\1\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
22:46:28 (38300): C:/Windows/system32/cmd.exe exited; CPU time 17837.421875
22:46:28 (38300): 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: 401121827 bytes.
Dumping objects ->
{3835500} normal block at 0x0000028ACE3B4B60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x0000028ACE3B4A80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x0000028ACE3B4F50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x0000028ACE3B4EE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000028ACE3B4CB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x0000028AD01E3E40, 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) : {3835412} normal block at 0x0000028ACE3ADCF0, 8 bytes long.
Data: < ŠÎŠ > 00 00 8A CE 8A 02 00 00
{3833959} normal block at 0x0000028ACE3AD2A0, 8 bytes long.
Data: <°ß Њ > B0 DF 0F D0 8A 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028ACE3A0DD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028ACE3A21C0, 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 0x0000028ACE3B5D20, 16 bytes long.
Data: <Hg;Ί > 48 67 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028ACE3B54B0, 16 bytes long.
Data: < g;Ί > 20 67 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028ACE3B0E70, 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 0x0000028ACE3B5D70, 16 bytes long.
Data: <øf;Ί > F8 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028ACE3B5C80, 16 bytes long.
Data: <Ðf;Ί > D0 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028ACE3B62C0, 16 bytes long.
Data: <¨f;Ί > A8 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028ACE3B58C0, 16 bytes long.
Data: < f;Ί > 80 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028ACE3B4850, 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 0x0000028ACE3B5F00, 16 bytes long.
Data: <X :Ί > 58 06 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028ACE3B1050, 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 0x0000028ACE3B57D0, 16 bytes long.
Data: <0 :Ί > 30 06 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028ACE3B5CD0, 16 bytes long.
Data: < :Ί > 08 06 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028ACE3B6220, 16 bytes long.
Data: <à :Ί > E0 05 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028ACE3B5870, 16 bytes long.
Data: <¸ :Ί > B8 05 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028ACE3B5AF0, 16 bytes long.
Data: < :Ί > 90 05 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028ACE3B5820, 16 bytes long.
Data: <h :Ί > 68 05 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028ACE3B0A50, 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 0x0000028ACE3B6090, 16 bytes long.
Data: <@ :Ί > 40 05 3A CE 8A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028ACE3A0540, 320 bytes long.
Data: < `;Ί P ;Ί > 90 60 3B CE 8A 02 00 00 50 0A 3B CE 8A 02 00 00
{275} normal block at 0x0000028ACE3B5FF0, 16 bytes long.
Data: <`f;Ί > 60 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028ACE3B5780, 16 bytes long.
Data: <8f;Ί > 38 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028ACE3B0F30, 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 0x0000028ACE3B6180, 16 bytes long.
Data: < f;Ί > 10 66 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028ACE3B0C90, 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 0x0000028ACE3B56E0, 16 bytes long.
Data: <Xe;Ί > 58 65 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028ACE3B5B40, 16 bytes long.
Data: <0e;Ί > 30 65 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028ACE3B5690, 16 bytes long.
Data: < e;Ί > 08 65 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028ACE3B5960, 16 bytes long.
Data: <àd;Ί > E0 64 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028ACE3B5640, 16 bytes long.
Data: <¸d;Ί > B8 64 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028ACE3B5A00, 16 bytes long.
Data: < d;Ί > 90 64 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028ACE3B5910, 16 bytes long.
Data: < I;Ί > A0 49 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028ACE3B49A0, 40 bytes long.
Data: < Y;Ί @> Њ > 10 59 3B CE 8A 02 00 00 40 3E 1E D0 8A 02 00 00
{261} normal block at 0x0000028ACE3B6040, 16 bytes long.
Data: <pd;Ί > 70 64 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028ACE3B61D0, 16 bytes long.
Data: <Hd;Ί > 48 64 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028ACE3B0CF0, 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 0x0000028ACE3B6270, 16 bytes long.
Data: < d;Ί > 20 64 3B CE 8A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028ACE3B6420, 992 bytes long.
Data: <pb;Ί ð ;Ί > 70 62 3B CE 8A 02 00 00 F0 0C 3B CE 8A 02 00 00
{93} normal block at 0x0000028ACE3B0E10, 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 0x0000028ACE3AD700, 16 bytes long.
Data: <àÙ9Ί > E0 D9 39 CE 8A 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000028ACE39D9E0, 40 bytes long.
Data: < ×:Ί ;Ί > 00 D7 3A CE 8A 02 00 00 10 0E 3B CE 8A 02 00 00
{70} normal block at 0x0000028ACE3AD840, 16 bytes long.
Data: < êŽW÷ > 80 EA 8E 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028ACE3ADE30, 16 bytes long.
Data: <@éŽW÷ > 40 E9 8E 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028ACE3AD2F0, 16 bytes long.
Data: <øW‹W÷ > F8 57 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028ACE3ACF80, 16 bytes long.
Data: <ØW‹W÷ > D8 57 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028ACE3ADA20, 16 bytes long.
Data: <P ‹W÷ > 50 04 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028ACE3AD660, 16 bytes long.
Data: <0 ‹W÷ > 30 04 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028ACE3AD250, 16 bytes long.
Data: <à ‹W÷ > E0 02 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028ACE3ACFD0, 16 bytes long.
Data: < ‹W÷ > 10 04 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028ACE3AD7F0, 16 bytes long.
Data: <p ‹W÷ > 70 04 8B 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028ACE3ADBB0, 16 bytes long.
Data: < À‰W÷ > 18 C0 89 57 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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