Task 38686604
| Name | test_892-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4337_0 |
| Workunit | 31628030 |
| Created | 28 Oct 2026, 3:26:39 UTC |
| Sent | 28 Oct 2026, 3:26:40 UTC |
| Report deadline | 2 Nov 2026, 3:26:40 UTC |
| Received | 28 Oct 2026, 4:21:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 54 min 23 sec |
| CPU time | 47 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.91 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:27:52 (21144): wrapper (7.9.26016): starting
22:27:52 (21144): 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
22:27:53 (21144): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:27:53 (21144): 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
23:21:20 (21144): C:/Windows/system32/cmd.exe exited; CPU time 2844.750000
23:21:20 (21144): 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: 49820915 bytes.
Dumping objects ->
{3835508} normal block at 0x000002CFC0FF5240, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x000002CFC0FF51D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x000002CFC0FF5160, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835475} normal block at 0x000002CFC0FF5010, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x000002CFC0FF5320, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835433} normal block at 0x000002CFC2C691B0, 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) : {3835420} normal block at 0x000002CFC0FEF090, 8 bytes long.
Data: < ùÀÏ > 00 00 F9 C0 CF 02 00 00
{3833967} normal block at 0x000002CFC0FEE730, 8 bytes long.
Data: <P² ÁÏ > 50 B2 01 C1 CF 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002CFC0FE63A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002CFC0FE7C90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002CFC0FF5DB0, 16 bytes long.
Data: < oÿÀÏ > 08 6F FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002CFC0FF65D0, 16 bytes long.
Data: <ànÿÀÏ > E0 6E FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002CFC0FF0420, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002CFC0FF6800, 16 bytes long.
Data: <¸nÿÀÏ > B8 6E FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002CFC0FF6580, 16 bytes long.
Data: < nÿÀÏ > 90 6E FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002CFC0FF5F40, 16 bytes long.
Data: <hnÿÀÏ > 68 6E FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002CFC0FF6120, 16 bytes long.
Data: <@nÿÀÏ > 40 6E FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002CFC0FF50F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002CFC0FF5EF0, 16 bytes long.
Data: <¸ëýÀÏ > B8 EB FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002CFC0FF0E40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002CFC0FF5CC0, 16 bytes long.
Data: < ëýÀÏ > 90 EB FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CFC0FF6710, 16 bytes long.
Data: <hëýÀÏ > 68 EB FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CFC0FF6260, 16 bytes long.
Data: <@ëýÀÏ > 40 EB FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CFC0FF5C70, 16 bytes long.
Data: < ëýÀÏ > 18 EB FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CFC0FF6AD0, 16 bytes long.
Data: <ðêýÀÏ > F0 EA FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CFC0FF5C20, 16 bytes long.
Data: <ÈêýÀÏ > C8 EA FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CFC0FF0480, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002CFC0FF6A80, 16 bytes long.
Data: < êýÀÏ > A0 EA FD C0 CF 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002CFC0FDEAA0, 320 bytes long.
Data: < jÿÀÏ ÿÀÏ > 80 6A FF C0 CF 02 00 00 80 04 FF C0 CF 02 00 00
{279} normal block at 0x000002CFC0FF6490, 16 bytes long.
Data: < nÿÀÏ > 20 6E FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002CFC0FF60D0, 16 bytes long.
Data: <ømÿÀÏ > F8 6D FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CFC0FF0A80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002CFC0FF6A30, 16 bytes long.
Data: <ÐmÿÀÏ > D0 6D FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CFC0FF0B40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002CFC0FF6990, 16 bytes long.
Data: < mÿÀÏ > 18 6D FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002CFC0FF6940, 16 bytes long.
Data: <ðlÿÀÏ > F0 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CFC0FF63F0, 16 bytes long.
Data: <ÈlÿÀÏ > C8 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CFC0FF63A0, 16 bytes long.
Data: < lÿÀÏ > A0 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CFC0FF6530, 16 bytes long.
Data: <xlÿÀÏ > 78 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CFC0FF5EA0, 16 bytes long.
Data: <PlÿÀÏ > 50 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CFC0FF68F0, 16 bytes long.
Data: <0OÿÀÏ > 30 4F FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002CFC0FF4F30, 40 bytes long.
Data: <ðhÿÀÏ °‘ÆÂÏ > F0 68 FF C0 CF 02 00 00 B0 91 C6 C2 CF 02 00 00
{265} normal block at 0x000002CFC0FF6B20, 16 bytes long.
Data: <0lÿÀÏ > 30 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CFC0FF6440, 16 bytes long.
Data: < lÿÀÏ > 08 6C FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002CFC0FF04E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002CFC0FF69E0, 16 bytes long.
Data: <àkÿÀÏ > E0 6B FF C0 CF 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002CFC0FF6BE0, 992 bytes long.
Data: <àiÿÀÏ à ÿÀÏ > E0 69 FF C0 CF 02 00 00 E0 04 FF C0 CF 02 00 00
{97} normal block at 0x000002CFC0FF0F00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002CFC0FEF360, 16 bytes long.
Data: <ÀMþÀÏ > C0 4D FE C0 CF 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002CFC0FE4DC0, 40 bytes long.
Data: <`óþÀÏ ÿÀÏ > 60 F3 FE C0 CF 02 00 00 00 0F FF C0 CF 02 00 00
{74} normal block at 0x000002CFC0FEF1D0, 16 bytes long.
Data: < ê °ö > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002CFC0FEEDC0, 16 bytes long.
Data: <@é °ö > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002CFC0FEF180, 16 bytes long.
Data: <øW °ö > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002CFC0FEEC80, 16 bytes long.
Data: <ØW °ö > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002CFC0FEE6E0, 16 bytes long.
Data: <P °ö > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002CFC0FEF310, 16 bytes long.
Data: <0 °ö > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002CFC0FEF2C0, 16 bytes long.
Data: <à °ö > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002CFC0FEEF50, 16 bytes long.
Data: < °ö > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002CFC0FEEFF0, 16 bytes long.
Data: <p °ö > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002CFC0FEF270, 16 bytes long.
Data: < À›°ö > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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