Task 38684274
| Name | test_238-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1647_1 |
| Workunit | 31625568 |
| Created | 27 Oct 2026, 15:34:43 UTC |
| Sent | 27 Oct 2026, 15:34:49 UTC |
| Report deadline | 1 Nov 2026, 15:34:49 UTC |
| Received | 27 Oct 2026, 20:47:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613683 |
| Run time | 46 min 1 sec |
| CPU time | 38 min 43 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 | 698.41 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>
17:31:42 (23520): wrapper (7.9.26016): starting
17:31:42 (23520): 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
17:31:45 (23520): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:45 (23520): 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\4\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\4\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
18:15:31 (23520): C:/Windows/system32/cmd.exe exited; CPU time 2323.218750
18:15:31 (23520): 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: 45988627 bytes.
Dumping objects ->
{3835197} normal block at 0x000001F7B40DE380, 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 0x000001F7B5C25510, 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 0x000001F7B5C24610, 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 0x000001F7B5C24370, 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 0x000001F7B5C242B0, 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 0x000001F7B40DE310, 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 0x000001F7B40D7EF0, 8 bytes long.
Data: < ›µ÷ > 00 00 9B B5 F7 01 00 00
{3833953} normal block at 0x000001F7B40D7450, 8 bytes long.
Data: <°gµ÷ > B0 67 C2 B5 F7 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F7B40E1780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F7B40DDA20, 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 0x000001F7B40E29A0, 16 bytes long.
Data: <(: ´÷ > 28 3A 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F7B40E2E50, 16 bytes long.
Data: < : ´÷ > 00 3A 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F7B40DCF20, 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 0x000001F7B40E2860, 16 bytes long.
Data: <Ø9 ´÷ > D8 39 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F7B40E2D10, 16 bytes long.
Data: <°9 ´÷ > B0 39 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F7B40E32B0, 16 bytes long.
Data: < 9 ´÷ > 88 39 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F7B40E2810, 16 bytes long.
Data: <`9 ´÷ > 60 39 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F7B40DE1C0, 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 0x000001F7B40E2630, 16 bytes long.
Data: <Ø` ´÷ > D8 60 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F7B40DC320, 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 0x000001F7B40E27C0, 16 bytes long.
Data: <°` ´÷ > B0 60 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F7B40E2590, 16 bytes long.
Data: < ` ´÷ > 88 60 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F7B40E2900, 16 bytes long.
Data: <`` ´÷ > 60 60 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F7B40E2C70, 16 bytes long.
Data: <8` ´÷ > 38 60 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F7B40E2C20, 16 bytes long.
Data: < ` ´÷ > 10 60 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F7B40E2AE0, 16 bytes long.
Data: <è_ ´÷ > E8 5F 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F7B40DC560, 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 0x000001F7B40E2F90, 16 bytes long.
Data: <À_ ´÷ > C0 5F 0C B4 F7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F7B40C5FC0, 320 bytes long.
Data: < / ´÷ `Å ´÷ > 90 2F 0E B4 F7 01 00 00 60 C5 0D B4 F7 01 00 00
{272} normal block at 0x000001F7B40E2950, 16 bytes long.
Data: <@9 ´÷ > 40 39 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F7B40E2720, 16 bytes long.
Data: < 9 ´÷ > 18 39 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F7B40DC5C0, 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 0x000001F7B40E2A40, 16 bytes long.
Data: <ð8 ´÷ > F0 38 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F7B40DC1A0, 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 0x000001F7B40E28B0, 16 bytes long.
Data: <88 ´÷ > 38 38 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F7B40E3120, 16 bytes long.
Data: < 8 ´÷ > 10 38 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F7B40E2B80, 16 bytes long.
Data: <è7 ´÷ > E8 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F7B40E2E00, 16 bytes long.
Data: <À7 ´÷ > C0 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F7B40E30D0, 16 bytes long.
Data: < 7 ´÷ > 98 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F7B40E29F0, 16 bytes long.
Data: <p7 ´÷ > 70 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F7B40E2BD0, 16 bytes long.
Data: <pà ´÷ > 70 E0 0D B4 F7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F7B40DE070, 40 bytes long.
Data: <Ð+ ´÷ ã ´÷ > D0 2B 0E B4 F7 01 00 00 10 E3 0D B4 F7 01 00 00
{258} normal block at 0x000001F7B40E25E0, 16 bytes long.
Data: <P7 ´÷ > 50 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F7B40E2EF0, 16 bytes long.
Data: <(7 ´÷ > 28 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F7B40DC2C0, 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 0x000001F7B40E2DB0, 16 bytes long.
Data: < 7 ´÷ > 00 37 0E B4 F7 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F7B40E3700, 992 bytes long.
Data: <°- ´÷ ÀÂ ´÷ > B0 2D 0E B4 F7 01 00 00 C0 C2 0D B4 F7 01 00 00
{90} normal block at 0x000001F7B40DCC20, 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 0x000001F7B40D7C20, 16 bytes long.
Data: < â ´÷ > A0 E2 0D B4 F7 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001F7B40DE2A0, 40 bytes long.
Data: < | ´÷ Ì ´÷ > 20 7C 0D B4 F7 01 00 00 20 CC 0D B4 F7 01 00 00
{67} normal block at 0x000001F7B40D7B30, 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 0x000001F7B40D7EA0, 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 0x000001F7B40D78B0, 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 0x000001F7B40D7860, 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 0x000001F7B40D75E0, 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 0x000001F7B40D7D10, 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 0x000001F7B40D7D60, 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 0x000001F7B40D7AE0, 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 0x000001F7B40D8300, 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 0x000001F7B40D7A90, 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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