Task 38668773
| Name | test_89-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3412_0 |
| Workunit | 31611217 |
| Created | 25 Oct 2026, 12:42:50 UTC |
| Sent | 25 Oct 2026, 12:42:56 UTC |
| Report deadline | 30 Oct 2026, 12:42:56 UTC |
| Received | 25 Oct 2026, 13:22:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627058 |
| Run time | 27 min 15 sec |
| CPU time | 26 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 757.33 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.47 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:53:48 (1964): wrapper (7.9.26016): starting
13:53:48 (1964): 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
13:53:49 (1964): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:53:49 (1964): 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\51\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\51\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
14:20:51 (1964): C:/Windows/system32/cmd.exe exited; CPU time 1576.312500
14:20:51 (1964): 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: 29882537 bytes.
Dumping objects ->
{3835524} normal block at 0x000001D240C5DCC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835513} normal block at 0x000001D240C5D8D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x000001D23EEC5A10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835491} normal block at 0x000001D23EEC5A80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x000001D23EEC5770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835449} normal block at 0x000001D240CA4CB0, 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) : {3835436} normal block at 0x000001D23EEBE3D0, 8 bytes long.
Data: < å>Ò > 00 00 E5 3E D2 01 00 00
{3833967} normal block at 0x000001D23EEBE060, 8 bytes long.
Data: <@Mì>Ò > 40 4D EC 3E D2 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001D23EEC1FA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D23EEB6670, 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 0x000001D23EEC6770, 16 bytes long.
Data: <(pì>Ò > 28 70 EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D23EEC6220, 16 bytes long.
Data: < pì>Ò > 00 70 EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D23EEBF9B0, 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 0x000001D23EEC6040, 16 bytes long.
Data: <Øoì>Ò > D8 6F EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D23EEC5D20, 16 bytes long.
Data: <°oì>Ò > B0 6F EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D23EEC6180, 16 bytes long.
Data: < oì>Ò > 88 6F EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D23EEC64F0, 16 bytes long.
Data: <`oì>Ò > 60 6F EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D23EEC58C0, 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 0x000001D23EEC5CD0, 16 bytes long.
Data: < ¹ê>Ò > 88 B9 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D23EEBF770, 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 0x000001D23EEC6950, 16 bytes long.
Data: <`¹ê>Ò > 60 B9 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D23EEC69A0, 16 bytes long.
Data: <8¹ê>Ò > 38 B9 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D23EEC68B0, 16 bytes long.
Data: < ¹ê>Ò > 10 B9 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D23EEC6130, 16 bytes long.
Data: <è¸ê>Ò > E8 B8 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D23EEC64A0, 16 bytes long.
Data: <À¸ê>Ò > C0 B8 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D23EEC6720, 16 bytes long.
Data: < ¸ê>Ò > 98 B8 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D23EEBFF50, 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 0x000001D23EEC6900, 16 bytes long.
Data: <p¸ê>Ò > 70 B8 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D23EEAB870, 320 bytes long.
Data: < iì>Ò Pÿë>Ò > 00 69 EC 3E D2 01 00 00 50 FF EB 3E D2 01 00 00
{279} normal block at 0x000001D23EEC6400, 16 bytes long.
Data: <@oì>Ò > 40 6F EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D23EEC60E0, 16 bytes long.
Data: < oì>Ò > 18 6F EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D23EEBFA70, 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 0x000001D23EEC6810, 16 bytes long.
Data: <ðnì>Ò > F0 6E EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D23EEBF5F0, 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 0x000001D23EEC6090, 16 bytes long.
Data: <8nì>Ò > 38 6E EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D23EEC5FF0, 16 bytes long.
Data: < nì>Ò > 10 6E EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D23EEC6680, 16 bytes long.
Data: <èmì>Ò > E8 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D23EEC5FA0, 16 bytes long.
Data: <Àmì>Ò > C0 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D23EEC6590, 16 bytes long.
Data: < mì>Ò > 98 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D23EEC6540, 16 bytes long.
Data: <pmì>Ò > 70 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D23EEC5F50, 16 bytes long.
Data: < Sì>Ò > 80 53 EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D23EEC5380, 40 bytes long.
Data: <P_ì>Ò °LÊ@Ò > 50 5F EC 3E D2 01 00 00 B0 4C CA 40 D2 01 00 00
{265} normal block at 0x000001D23EEC66D0, 16 bytes long.
Data: <Pmì>Ò > 50 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D23EEC5E60, 16 bytes long.
Data: <(mì>Ò > 28 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D23EEBFEF0, 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 0x000001D23EEC65E0, 16 bytes long.
Data: < mì>Ò > 00 6D EC 3E D2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D23EEC6D00, 992 bytes long.
Data: <àeì>Ò ðþë>Ò > E0 65 EC 3E D2 01 00 00 F0 FE EB 3E D2 01 00 00
{97} normal block at 0x000001D23EEBFB30, 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 0x000001D23EEBDA20, 16 bytes long.
Data: <P×ê>Ò > 50 D7 EA 3E D2 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001D23EEAD750, 40 bytes long.
Data: < Úë>Ò 0ûë>Ò > 20 DA EB 3E D2 01 00 00 30 FB EB 3E D2 01 00 00
{74} normal block at 0x000001D23EEBDC00, 16 bytes long.
Data: < ê— ÷ > 80 EA 97 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D23EEBE7E0, 16 bytes long.
Data: <@é— ÷ > 40 E9 97 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D23EEBE380, 16 bytes long.
Data: <øW” ÷ > F8 57 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D23EEBE100, 16 bytes long.
Data: <ØW” ÷ > D8 57 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D23EEBE010, 16 bytes long.
Data: <P ” ÷ > 50 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D23EEBE2E0, 16 bytes long.
Data: <0 ” ÷ > 30 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D23EEBD980, 16 bytes long.
Data: <à ” ÷ > E0 02 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D23EEBE1A0, 16 bytes long.
Data: < ” ÷ > 10 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D23EEBD930, 16 bytes long.
Data: <p ” ÷ > 70 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D23EEBDF70, 16 bytes long.
Data: < À’ ÷ > 18 C0 92 00 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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