Task 38665852
| Name | test_739-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5626_0 |
| Workunit | 31608900 |
| Created | 25 Oct 2026, 1:39:49 UTC |
| Sent | 25 Oct 2026, 2:01:24 UTC |
| Report deadline | 30 Oct 2026, 2:01:24 UTC |
| Received | 25 Oct 2026, 10:56:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613683 |
| Run time | 35 min 29 sec |
| CPU time | 32 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.34 MB |
| Peak swap size | 3.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:32:27 (24524): wrapper (7.9.26016): starting
08:32:27 (24524): 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
08:32:28 (24524): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:32:28 (24524): 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 'E:\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 'E:\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
09:05:43 (24524): C:/Windows/system32/cmd.exe exited; CPU time 1937.390625
09:05:43 (24524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 37283781 bytes.
Dumping objects ->
{3835197} normal block at 0x000001E3FEECE620, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835186} normal block at 0x000001E3FF734BA0, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835175} normal block at 0x000001E3FF735200, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835164} normal block at 0x000001E3FF734CC0, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835153} normal block at 0x000001E3FF735680, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835122} normal block at 0x000001E3FEECE380, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001E3FEEC7DD0, 8 bytes long.
Data: < Iÿã > 00 00 49 FF E3 01 00 00
{3833953} normal block at 0x000001E3FEEC8640, 8 bytes long.
Data: <Ð wÿã > D0 20 77 FF E3 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001E3FEED1CC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E3FEECDF60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001E3FEED2F30, 16 bytes long.
Data: <¸=íþã > B8 3D ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E3FEED3610, 16 bytes long.
Data: < =íþã > 90 3D ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E3FEECC800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001E3FEED3570, 16 bytes long.
Data: <h=íþã > 68 3D ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E3FEED31B0, 16 bytes long.
Data: <@=íþã > 40 3D ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E3FEED2E90, 16 bytes long.
Data: < =íþã > 18 3D ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E3FEED3520, 16 bytes long.
Data: <ð<íþã > F0 3C ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E3FEECE460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001E3FEED3160, 16 bytes long.
Data: <Ø`ëþã > D8 60 EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E3FEECC980, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001E3FEED2E40, 16 bytes long.
Data: <°`ëþã > B0 60 EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E3FEED3110, 16 bytes long.
Data: < `ëþã > 88 60 EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E3FEED39D0, 16 bytes long.
Data: <``ëþã > 60 60 EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E3FEED2DA0, 16 bytes long.
Data: <8`ëþã > 38 60 EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E3FEED33E0, 16 bytes long.
Data: < `ëþã > 10 60 EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E3FEED2DF0, 16 bytes long.
Data: <è_ëþã > E8 5F EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E3FEECCC80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001E3FEED35C0, 16 bytes long.
Data: <À_ëþã > C0 5F EB FE E3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E3FEEB5FC0, 320 bytes long.
Data: <À5íþã Ììþã > C0 35 ED FE E3 01 00 00 80 CC EC FE E3 01 00 00
{272} normal block at 0x000001E3FEED32A0, 16 bytes long.
Data: <Ð<íþã > D0 3C ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E3FEED2BC0, 16 bytes long.
Data: <¨<íþã > A8 3C ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E3FEECD0A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001E3FEED2C60, 16 bytes long.
Data: < <íþã > 80 3C ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E3FEECD100, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001E3FEED3840, 16 bytes long.
Data: <È;íþã > C8 3B ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E3FEED2D50, 16 bytes long.
Data: < ;íþã > A0 3B ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E3FEED2B20, 16 bytes long.
Data: <x;íþã > 78 3B ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E3FEED3930, 16 bytes long.
Data: <P;íþã > 50 3B ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E3FEED2D00, 16 bytes long.
Data: <(;íþã > 28 3B ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E3FEED2CB0, 16 bytes long.
Data: < ;íþã > 00 3B ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E3FEED3480, 16 bytes long.
Data: < êìþã > 10 EA EC FE E3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E3FEECEA10, 40 bytes long.
Data: < 4íþã ãìþã > 80 34 ED FE E3 01 00 00 80 E3 EC FE E3 01 00 00
{258} normal block at 0x000001E3FEED30C0, 16 bytes long.
Data: <à:íþã > E0 3A ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E3FEED3430, 16 bytes long.
Data: <¸:íþã > B8 3A ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E3FEECC860, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001E3FEED2B70, 16 bytes long.
Data: < :íþã > 90 3A ED FE E3 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E3FEED3A90, 992 bytes long.
Data: <p+íþã `Èìþã > 70 2B ED FE E3 01 00 00 60 C8 EC FE E3 01 00 00
{90} normal block at 0x000001E3FEECC6E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001E3FEEC7BF0, 16 bytes long.
Data: <Pèìþã > 50 E8 EC FE E3 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001E3FEECE850, 40 bytes long.
Data: <ð{ìþã àÆìþã > F0 7B EC FE E3 01 00 00 E0 C6 EC FE E3 01 00 00
{67} normal block at 0x000001E3FEEC84B0, 16 bytes long.
Data: < ê œ÷ > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E3FEEC7A60, 16 bytes long.
Data: <@é œ÷ > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E3FEEC8460, 16 bytes long.
Data: <øW œ÷ > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E3FEEC7880, 16 bytes long.
Data: <ØW œ÷ > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E3FEEC8230, 16 bytes long.
Data: <P œ÷ > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E3FEEC81E0, 16 bytes long.
Data: <0 œ÷ > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E3FEEC7C90, 16 bytes long.
Data: <à œ÷ > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E3FEEC83C0, 16 bytes long.
Data: < œ÷ > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E3FEEC8140, 16 bytes long.
Data: <p œ÷ > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E3FEEC86E0, 16 bytes long.
Data: < À œ÷ > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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