Task 38686932
| Name | test_536-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4289_0 |
| Workunit | 31628341 |
| Created | 28 Oct 2026, 5:08:36 UTC |
| Sent | 28 Oct 2026, 5:08:46 UTC |
| Report deadline | 2 Nov 2026, 5:08:46 UTC |
| Received | 28 Oct 2026, 6:02:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654838 |
| Run time | 15 min 33 sec |
| CPU time | 14 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.48 MB |
| Peak swap size | 13.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:47:21 (61384): wrapper (7.9.26016): starting
01:47:21 (61384): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
01:47:22 (61384): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:47:22 (61384): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
02:02:15 (61384): C:/Windows/system32/cmd.exe exited; CPU time 883.703125
02:02:15 (61384): 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: 21759397 bytes.
Dumping objects ->
{3835501} normal block at 0x00000227D2EC35A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x00000227D2EC34C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x00000227D2EC3450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835468} normal block at 0x00000227D2EC3530, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x00000227D2EC3290, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835426} normal block at 0x00000227D4B9BB00, 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) : {3835413} normal block at 0x00000227D2EBDAC0, 8 bytes long.
Data: < Ô' > 00 00 9D D4 27 02 00 00
{3833939} normal block at 0x00000227D2EBD2A0, 8 bytes long.
Data: <Ð ìÒ' > D0 19 EC D2 27 02 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x00000227D2EBE7B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000227D2EB6920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x00000227D2EC4AA0, 16 bytes long.
Data: <(BìÒ' > 28 42 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000227D2EC44B0, 16 bytes long.
Data: < BìÒ' > 00 42 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000227D2EC2590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x00000227D2EC4910, 16 bytes long.
Data: <ØAìÒ' > D8 41 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000227D2EC4E60, 16 bytes long.
Data: <°AìÒ' > B0 41 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000227D2EC4DC0, 16 bytes long.
Data: < AìÒ' > 88 41 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000227D2EC4820, 16 bytes long.
Data: <`AìÒ' > 60 41 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000227D2EC3060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x00000227D2EC4A50, 16 bytes long.
Data: <8 ëÒ' > 38 98 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000227D2EC2470, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x00000227D2EC45A0, 16 bytes long.
Data: < ëÒ' > 10 98 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000227D2EC4640, 16 bytes long.
Data: <è—ëÒ' > E8 97 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000227D2EC4BE0, 16 bytes long.
Data: <À—ëÒ' > C0 97 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000227D2EC4D70, 16 bytes long.
Data: < —ëÒ' > 98 97 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000227D2EC43C0, 16 bytes long.
Data: <p—ëÒ' > 70 97 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000227D2EC4FA0, 16 bytes long.
Data: <H—ëÒ' > 48 97 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000227D2EC2A70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x00000227D2EC4B40, 16 bytes long.
Data: < —ëÒ' > 20 97 EB D2 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000227D2EB9720, 320 bytes long.
Data: <@KìÒ' p*ìÒ' > 40 4B EC D2 27 02 00 00 70 2A EC D2 27 02 00 00
{265} normal block at 0x00000227D2EC4410, 16 bytes long.
Data: <@AìÒ' > 40 41 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000227D2EC47D0, 16 bytes long.
Data: < AìÒ' > 18 41 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000227D2EC2050, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x00000227D2EC4690, 16 bytes long.
Data: <ð@ìÒ' > F0 40 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000227D2EC2110, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x00000227D2EC52C0, 16 bytes long.
Data: <8@ìÒ' > 38 40 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000227D2EC50E0, 16 bytes long.
Data: < @ìÒ' > 10 40 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000227D2EC4AF0, 16 bytes long.
Data: <è?ìÒ' > E8 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000227D2EC4D20, 16 bytes long.
Data: <À?ìÒ' > C0 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000227D2EBD7A0, 16 bytes long.
Data: < ?ìÒ' > 98 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000227D2EBD5C0, 16 bytes long.
Data: <p?ìÒ' > 70 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000227D2EBD7F0, 16 bytes long.
Data: <p3ìÒ' > 70 33 EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000227D2EC3370, 40 bytes long.
Data: <ð×ëÒ' »¹Ô' > F0 D7 EB D2 27 02 00 00 00 BB B9 D4 27 02 00 00
{251} normal block at 0x00000227D2EBD1B0, 16 bytes long.
Data: <P?ìÒ' > 50 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000227D2EBDCF0, 16 bytes long.
Data: <(?ìÒ' > 28 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x00000227D2EC2710, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x00000227D2EBD430, 16 bytes long.
Data: < ?ìÒ' > 00 3F EC D2 27 02 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x00000227D2EC3F00, 992 bytes long.
Data: <0ÔëÒ' 'ìÒ' > 30 D4 EB D2 27 02 00 00 10 27 EC D2 27 02 00 00
{83} normal block at 0x00000227D2EC2530, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x00000227D2EBD9D0, 16 bytes long.
Data: <àÃêÒ' > E0 C3 EA D2 27 02 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000227D2EAC3E0, 40 bytes long.
Data: <ÐÙëÒ' 0%ìÒ' > D0 D9 EB D2 27 02 00 00 30 25 EC D2 27 02 00 00
{60} normal block at 0x00000227D2EBD200, 16 bytes long.
Data: < ê^S÷ > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000227D2EBD070, 16 bytes long.
Data: <@é^S÷ > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000227D2EBD8E0, 16 bytes long.
Data: <øW[S÷ > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000227D2EBD340, 16 bytes long.
Data: <ØW[S÷ > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000227D2EBD3E0, 16 bytes long.
Data: <P [S÷ > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000227D2EBD250, 16 bytes long.
Data: <0 [S÷ > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000227D2EBD520, 16 bytes long.
Data: <à [S÷ > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000227D2EBD2F0, 16 bytes long.
Data: < [S÷ > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000227D2EBD890, 16 bytes long.
Data: <p [S÷ > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x00000227D2EBDA20, 16 bytes long.
Data: < ÀYS÷ > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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