Task 38581527
| Name | HIF2A_A36_A09_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4301_0 |
| Workunit | 31546047 |
| Created | 12 Dec 2025, 10:51:12 UTC |
| Sent | 12 Dec 2025, 10:52:27 UTC |
| Report deadline | 17 Dec 2025, 10:52:27 UTC |
| Received | 12 Dec 2025, 16:50:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642459 |
| Run time | 3 hours 41 min 3 sec |
| CPU time | 3 hours 41 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 109,327.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 525.54 MB |
| Peak swap size | 18.36 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:33:39 (9956): wrapper (7.9.26016): starting
20:33:39 (9956): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A09_0.pdb
QB_A36_A09_0.xml
QB_A36_A09_equil.pdb
QB_A36_A09.inpcrd
QB_A36_A09_input.yaml
QB_A36_A09_mdlambda.pdb
QB_A36_A09_min.pdb
QB_A36_A09_npt.pdb
QB_A36_A09.pdb
QB_A36_A09.prmtop
QB_A36_A09_sys.xml
QB_A36_A09_therm.pdb
run.bat
run.sh
20:33:41 (9956): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:33:41 (9956): 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\19\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\19\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
23:49:55 (9956): C:/Windows/system32/cmd.exe exited; CPU time 13263.250000
23:49:55 (9956): 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: 190241097 bytes.
Dumping objects ->
{3835316} normal block at 0x000001E4B0CA8580, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x000001E4B0CA92A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x000001E4B0CA9230, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835283} normal block at 0x000001E4B0CA91C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x000001E4B0CA84A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835241} normal block at 0x000001E4B0C4B880, 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) : {3835228} normal block at 0x000001E4AEF07800, 8 bytes long.
Data: < å®ä > 00 00 E5 AE E4 01 00 00
{3833957} normal block at 0x000001E4AEF073F0, 8 bytes long.
Data: < Ï°ä > 90 16 CF B0 E4 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E4AEF116B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E4AEEFABF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001E4AEF13690, 16 bytes long.
Data: <(>ñ®ä > 28 3E F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E4AEF12B50, 16 bytes long.
Data: < >ñ®ä > 00 3E F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E4AEF0C540, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001E4AEF13050, 16 bytes long.
Data: <Ø=ñ®ä > D8 3D F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E4AEF12B00, 16 bytes long.
Data: <°=ñ®ä > B0 3D F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E4AEF135A0, 16 bytes long.
Data: < =ñ®ä > 88 3D F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E4AEF12E70, 16 bytes long.
Data: <`=ñ®ä > 60 3D F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E4AEF0D4B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001E4AEF13140, 16 bytes long.
Data: <8Àï®ä > 38 C0 EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E4AEF0BD00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001E4AEF12D80, 16 bytes long.
Data: < Àï®ä > 10 C0 EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E4AEF12FB0, 16 bytes long.
Data: <è¿ï®ä > E8 BF EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E4AEF12C40, 16 bytes long.
Data: <À¿ï®ä > C0 BF EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E4AEF13000, 16 bytes long.
Data: < ¿ï®ä > 98 BF EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E4AEF13190, 16 bytes long.
Data: <p¿ï®ä > 70 BF EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E4AEF12AB0, 16 bytes long.
Data: <H¿ï®ä > 48 BF EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E4AEF0BCA0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{276} normal block at 0x000001E4AEF12F10, 16 bytes long.
Data: < ¿ï®ä > 20 BF EF AE E4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E4AEEFBF20, 320 bytes long.
Data: < /ñ®ä  ¼ð®ä > 10 2F F1 AE E4 01 00 00 A0 BC F0 AE E4 01 00 00
{274} normal block at 0x000001E4AEF129C0, 16 bytes long.
Data: <@=ñ®ä > 40 3D F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E4AEF12970, 16 bytes long.
Data: < =ñ®ä > 18 3D F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E4AEF0B9A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001E4AEF12BF0, 16 bytes long.
Data: <ð<ñ®ä > F0 3C F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E4AEF0BBE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001E4AEF12A60, 16 bytes long.
Data: <8<ñ®ä > 38 3C F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E4AEF133C0, 16 bytes long.
Data: < <ñ®ä > 10 3C F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E4AEF12E20, 16 bytes long.
Data: <è;ñ®ä > E8 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E4AEF12F60, 16 bytes long.
Data: <À;ñ®ä > C0 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E4AEF13460, 16 bytes long.
Data: < ;ñ®ä > 98 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E4AEF13320, 16 bytes long.
Data: <p;ñ®ä > 70 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E4AEF12EC0, 16 bytes long.
Data: <@Ûð®ä > 40 DB F0 AE E4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E4AEF0DB40, 40 bytes long.
Data: <À.ñ®ä ¸Ä°ä > C0 2E F1 AE E4 01 00 00 80 B8 C4 B0 E4 01 00 00
{260} normal block at 0x000001E4AEF12920, 16 bytes long.
Data: <P;ñ®ä > 50 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E4AEF128D0, 16 bytes long.
Data: <(;ñ®ä > 28 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E4AEF0C300, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001E4AEF12880, 16 bytes long.
Data: < ;ñ®ä > 00 3B F1 AE E4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E4AEF13B00, 992 bytes long.
Data: < (ñ®ä Ãð®ä > 80 28 F1 AE E4 01 00 00 00 C3 F0 AE E4 01 00 00
{92} normal block at 0x000001E4AEF0B820, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001E4AEF06EF0, 16 bytes long.
Data: <pÖð®ä > 70 D6 F0 AE E4 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E4AEF0D670, 40 bytes long.
Data: <ðnð®ä ¸ð®ä > F0 6E F0 AE E4 01 00 00 20 B8 F0 AE E4 01 00 00
{69} normal block at 0x000001E4AEF06B30, 16 bytes long.
Data: < ê] ö > 80 EA 5D 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E4AEF07030, 16 bytes long.
Data: <@é] ö > 40 E9 5D 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E4AEF06CC0, 16 bytes long.
Data: <øWZ ö > F8 57 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E4AEF06AE0, 16 bytes long.
Data: <ØWZ ö > D8 57 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E4AEF06F40, 16 bytes long.
Data: <P Z ö > 50 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E4AEF06D60, 16 bytes long.
Data: <0 Z ö > 30 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E4AEF06A40, 16 bytes long.
Data: <à Z ö > E0 02 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E4AEF06A90, 16 bytes long.
Data: < Z ö > 10 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E4AEF073A0, 16 bytes long.
Data: <p Z ö > 70 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E4AEF07530, 16 bytes long.
Data: < ÀX ö > 18 C0 58 90 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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