Task 38674727
| Name | test_572-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1562_1 |
| Workunit | 31616728 |
| Created | 26 Oct 2026, 6:09:36 UTC |
| Sent | 26 Oct 2026, 6:09:41 UTC |
| Report deadline | 31 Oct 2026, 6:09:41 UTC |
| Received | 26 Oct 2026, 7:46:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 21 sec |
| CPU time | 47 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 643.07 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:58:06 (31924): wrapper (7.9.26016): starting
14:58:06 (31924): 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
14:58:07 (31924): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:58:07 (31924): 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
15:44:35 (31924): C:/Windows/system32/cmd.exe exited; CPU time 2834.609375
15:44:35 (31924): 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: 44578985 bytes.
Dumping objects ->
{3835255} normal block at 0x0000021BD050C1F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x0000021BD050C5E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000021BD050C180, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x0000021BD050C500, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x0000021BD050C490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x0000021BD3E13F90, 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) : {3835167} normal block at 0x0000021BD0509120, 8 bytes long.
Data: < > 00 00 16 D2 1B 02 00 00
{3834025} normal block at 0x0000021BD05089A0, 8 bytes long.
Data: < > D0 D4 E6 D3 1B 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021BD0507430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021BD04EAE00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000021BD0509030, 16 bytes long.
Data: < P > 08 88 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021BD0509440, 16 bytes long.
Data: < P > E0 87 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021BD0502F50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000021BD05089F0, 16 bytes long.
Data: < P > B8 87 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021BD05090D0, 16 bytes long.
Data: < P > 90 87 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021BD05097B0, 16 bytes long.
Data: <h P > 68 87 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021BD05093A0, 16 bytes long.
Data: <@ P > 40 87 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021BD0501300, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000021BD0509850, 16 bytes long.
Data: < !P > 88 21 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021BD0503250, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000021BD0505040, 16 bytes long.
Data: <`!P > 60 21 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021BD0504B90, 16 bytes long.
Data: <8!P > 38 21 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021BD05049B0, 16 bytes long.
Data: < !P > 10 21 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021BD0504910, 16 bytes long.
Data: < P > E8 20 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021BD0504820, 16 bytes long.
Data: < P > C0 20 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021BD0504B40, 16 bytes long.
Data: < P > 98 20 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021BD0502D10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000021BD05047D0, 16 bytes long.
Data: <p P > 70 20 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021BD0502070, 320 bytes long.
Data: < GP -P > D0 47 50 D0 1B 02 00 00 10 2D 50 D0 1B 02 00 00
{268} normal block at 0x0000021BD0504DC0, 16 bytes long.
Data: < P > 20 87 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021BD0504A00, 16 bytes long.
Data: < P > F8 86 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021BD0502CB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000021BD0504780, 16 bytes long.
Data: < P > D0 86 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021BD0502C50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000021BD0504FA0, 16 bytes long.
Data: < P > 18 86 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021BD0504F50, 16 bytes long.
Data: < P > F0 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021BD05048C0, 16 bytes long.
Data: < P > C8 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021BD0504F00, 16 bytes long.
Data: < P > A0 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021BD05046E0, 16 bytes long.
Data: <x P > 78 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021BD0504E10, 16 bytes long.
Data: <P P > 50 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021BD05045A0, 16 bytes long.
Data: < P > C0 14 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021BD05014C0, 40 bytes long.
Data: < EP ? > A0 45 50 D0 1B 02 00 00 90 3F E1 D3 1B 02 00 00
{254} normal block at 0x0000021BD0504550, 16 bytes long.
Data: <0 P > 30 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021BD0504D70, 16 bytes long.
Data: < P > 08 85 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000021BD0503310, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000021BD0504690, 16 bytes long.
Data: < P > E0 84 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000021BD05084E0, 992 bytes long.
Data: < FP 3P > 90 46 50 D0 1B 02 00 00 10 33 50 D0 1B 02 00 00
{86} normal block at 0x0000021BD05026B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000021BD0505180, 16 bytes long.
Data: < P > 20 12 50 D0 1B 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000021BD0501220, 40 bytes long.
Data: < QP &P > 80 51 50 D0 1B 02 00 00 B0 26 50 D0 1B 02 00 00
{61} normal block at 0x0000021BD0504FF0, 16 bytes long.
Data: < 4 > 80 EA 34 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021BD0504500, 16 bytes long.
Data: <@ 4 > 40 E9 34 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021BD0504C30, 16 bytes long.
Data: < W1 > F8 57 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021BD0505360, 16 bytes long.
Data: < W1 > D8 57 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021BD0504EB0, 16 bytes long.
Data: <P 1 > 50 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021BD0504E60, 16 bytes long.
Data: <0 1 > 30 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000021BD0504BE0, 16 bytes long.
Data: < 1 > E0 02 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000021BD0505310, 16 bytes long.
Data: < 1 > 10 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000021BD05052C0, 16 bytes long.
Data: <p 1 > 70 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000021BD05050E0, 16 bytes long.
Data: < / > 18 C0 2F A9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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