Task 38698031
| Name | test_256-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5326_0 |
| Workunit | 31638566 |
| Created | 2 Nov 2026, 2:12:53 UTC |
| Sent | 2 Nov 2026, 2:12:57 UTC |
| Report deadline | 7 Nov 2026, 2:12:57 UTC |
| Received | 2 Nov 2026, 2:51:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593616 |
| Run time | 36 min 53 sec |
| CPU time | 32 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.39 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.64 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:15:29 (90568): wrapper (7.9.26016): starting
11:15:29 (90568): 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
11:15:31 (90568): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:15:31 (90568): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
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WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\15\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 'D:\ProgramData\BOINC\slots\15\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
11:50:36 (90568): C:/Windows/system32/cmd.exe exited; CPU time 1967.859375
11:50:36 (90568): 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: 39304553 bytes.
Dumping objects ->
{3835329} normal block at 0x00000268AF2C0A00, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835318} normal block at 0x00000268AF2C08B0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x00000268AF2C0AE0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835296} normal block at 0x00000268AF2C0D10, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835285} normal block at 0x00000268AF2C1480, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835254} normal block at 0x00000268AF3BB500, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835241} normal block at 0x00000268AD4CE620, 8 bytes long.
Data: < ­h > 00 00 83 AD 68 02 00 00
{3834077} normal block at 0x00000268AD4CDA90, 8 bytes long.
Data: <°HA¯h > B0 48 41 AF 68 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000268AD4D2CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000268AD4C6810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000268AD4D6760, 16 bytes long.
Data: < tM­h > 08 74 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000268AD4D64E0, 16 bytes long.
Data: < sM­h > E0 73 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000268AD4D0880, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000268AD4D67B0, 16 bytes long.
Data: <¸sM­h > B8 73 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000268AD4D6620, 16 bytes long.
Data: < sM­h > 90 73 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000268AD4D6120, 16 bytes long.
Data: <hsM­h > 68 73 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000268AD4D6E90, 16 bytes long.
Data: <@sM­h > 40 73 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000268AD4D0E80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000268AD4D7070, 16 bytes long.
Data: < L­h > E8 98 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000268AD4D0160, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000268AD4D6490, 16 bytes long.
Data: <À L­h > C0 98 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000268AD4D68F0, 16 bytes long.
Data: < L­h > 98 98 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000268AD4D7020, 16 bytes long.
Data: <p L­h > 70 98 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000268AD4D6A80, 16 bytes long.
Data: <H L­h > 48 98 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000268AD4D6E40, 16 bytes long.
Data: < L­h > 20 98 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000268AD4D6B20, 16 bytes long.
Data: < L­h > F8 97 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000268AD4D0580, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000268AD4D6FD0, 16 bytes long.
Data: <Ð L­h > D0 97 4C AD 68 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000268AD4C97D0, 320 bytes long.
Data: <ÐoM­h M­h > D0 6F 4D AD 68 02 00 00 80 05 4D AD 68 02 00 00
{281} normal block at 0x00000268AD4D6A30, 16 bytes long.
Data: < sM­h > 20 73 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000268AD4D6210, 16 bytes long.
Data: < rM­h > F8 72 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000268AD4D0100, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000268AD4D6D50, 16 bytes long.
Data: <ÐrM­h > D0 72 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000268AD4D06A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000268AD4D6440, 16 bytes long.
Data: < rM­h > 18 72 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000268AD4D63F0, 16 bytes long.
Data: < qM­h > F0 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000268AD4D65D0, 16 bytes long.
Data: <ÈqM­h > C8 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000268AD4D6940, 16 bytes long.
Data: < qM­h > A0 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000268AD4D63A0, 16 bytes long.
Data: <xqM­h > 78 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000268AD4D6B70, 16 bytes long.
Data: <PqM­h > 50 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000268AD4D6710, 16 bytes long.
Data: < M­h > 10 15 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000268AD4D1510, 40 bytes long.
Data: < gM­h µ;¯h > 10 67 4D AD 68 02 00 00 00 B5 3B AF 68 02 00 00
{267} normal block at 0x00000268AD4D68A0, 16 bytes long.
Data: <0qM­h > 30 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000268AD4D6AD0, 16 bytes long.
Data: < qM­h > 08 71 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000268AD4D0640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000268AD4D6350, 16 bytes long.
Data: < pM­h > E0 70 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000268AD4D70E0, 992 bytes long.
Data: <PcM­h @ M­h > 50 63 4D AD 68 02 00 00 40 06 4D AD 68 02 00 00
{99} normal block at 0x00000268AD4D0820, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000268AD4CDA40, 16 bytes long.
Data: < M­h > 20 11 4D AD 68 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000268AD4D1120, 40 bytes long.
Data: <@ÚL­h M­h > 40 DA 4C AD 68 02 00 00 20 08 4D AD 68 02 00 00
{74} normal block at 0x00000268AD4CE6C0, 16 bytes long.
Data: < > 80 EA 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000268AD4CE8A0, 16 bytes long.
Data: <@ > 40 E9 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000268AD4CDBD0, 16 bytes long.
Data: < W > F8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000268AD4CE530, 16 bytes long.
Data: <ØW > D8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000268AD4CE800, 16 bytes long.
Data: <P > 50 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000268AD4CE8F0, 16 bytes long.
Data: <0 > 30 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000268AD4CDFE0, 16 bytes long.
Data: < > E0 02 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000268AD4CE490, 16 bytes long.
Data: < > 10 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000268AD4CE300, 16 bytes long.
Data: <p > 70 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000268AD4CE4E0, 16 bytes long.
Data: < À > 18 C0 81 02 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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