Task 38689005
| Name | test_851-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7593_0 |
| Workunit | 31630291 |
| Created | 28 Oct 2026, 17:36:02 UTC |
| Sent | 28 Oct 2026, 17:36:11 UTC |
| Report deadline | 2 Nov 2026, 17:36:11 UTC |
| Received | 28 Oct 2026, 18:29:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550864 |
| Run time | 47 min 15 sec |
| CPU time | 44 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.05 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:42:49 (1436): wrapper (7.9.26016): starting
13:42:49 (1436): 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
13:43:04 (1436): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:43:04 (1436): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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
14:29:33 (1436): C:/Windows/system32/cmd.exe exited; CPU time 2684.984375
14:29:33 (1436): 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: 40992237 bytes.
Dumping objects ->
{3835192} normal block at 0x0000025CD5966950, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835181} normal block at 0x0000025CD7465EE0, 32 bytes long.
Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835170} normal block at 0x0000025CD7464DA0, 32 bytes long.
Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835159} normal block at 0x0000025CD74651C0, 32 bytes long.
Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
{3835148} normal block at 0x0000025CD7464920, 32 bytes long.
Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C
{3835117} normal block at 0x0000025CD5966020, 48 bytes long.
Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x0000025CD5937170, 8 bytes long.
Data: < 0×\ > 00 00 30 D7 5C 02 00 00
{3833953} normal block at 0x0000025CD5936FE0, 8 bytes long.
Data: < ?×\ > 80 06 3F D7 5C 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000025CD5940750, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025CD59417D0, 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 0x0000025CD5942550, 16 bytes long.
Data: <x=”Õ\ > 78 3D 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025CD59424B0, 16 bytes long.
Data: <P=”Õ\ > 50 3D 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025CD593D450, 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 0x0000025CD5942320, 16 bytes long.
Data: <(=”Õ\ > 28 3D 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025CD59421E0, 16 bytes long.
Data: < =”Õ\ > 00 3D 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025CD5941A10, 16 bytes long.
Data: <Ø<”Õ\ > D8 3C 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025CD5942050, 16 bytes long.
Data: <°<”Õ\ > B0 3C 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025CD593BD10, 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 0x0000025CD5941EC0, 16 bytes long.
Data: <h ”Õ\ > 68 17 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025CD593D7B0, 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 0x0000025CD5941970, 16 bytes long.
Data: <@ ”Õ\ > 40 17 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025CD5941F60, 16 bytes long.
Data: < ”Õ\ > 18 17 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025CD5942780, 16 bytes long.
Data: <ð ”Õ\ > F0 16 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025CD5942730, 16 bytes long.
Data: <È ”Õ\ > C8 16 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025CD5942140, 16 bytes long.
Data: <  ”Õ\ > A0 16 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025CD5941E70, 16 bytes long.
Data: <x ”Õ\ > 78 16 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025CD593D330, 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 0x0000025CD5941D80, 16 bytes long.
Data: <P ”Õ\ > 50 16 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025CD5941650, 320 bytes long.
Data: < ”Õ\ 0Ó“Õ\ > 80 1D 94 D5 5C 02 00 00 30 D3 93 D5 5C 02 00 00
{272} normal block at 0x0000025CD5942500, 16 bytes long.
Data: < <”Õ\ > 90 3C 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025CD5941CE0, 16 bytes long.
Data: <h<”Õ\ > 68 3C 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025CD593CF70, 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 0x0000025CD5942230, 16 bytes long.
Data: <@<”Õ\ > 40 3C 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025CD593D750, 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 0x0000025CD5942460, 16 bytes long.
Data: < ;”Õ\ > 88 3B 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025CD59426E0, 16 bytes long.
Data: <`;”Õ\ > 60 3B 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025CD5942640, 16 bytes long.
Data: <8;”Õ\ > 38 3B 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025CD5941E20, 16 bytes long.
Data: < ;”Õ\ > 10 3B 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025CD5941DD0, 16 bytes long.
Data: <è:”Õ\ > E8 3A 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025CD5941920, 16 bytes long.
Data: <À:”Õ\ > C0 3A 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025CD5941C90, 16 bytes long.
Data: <`¾“Õ\ > 60 BE 93 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025CD593BE60, 40 bytes long.
Data: < ”Õ\ `–Õ\ > 90 1C 94 D5 5C 02 00 00 20 60 96 D5 5C 02 00 00
{258} normal block at 0x0000025CD5941D30, 16 bytes long.
Data: < :”Õ\ > A0 3A 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025CD5941C40, 16 bytes long.
Data: <x:”Õ\ > 78 3A 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000025CD593DA50, 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 0x0000025CD5942190, 16 bytes long.
Data: <P:”Õ\ > 50 3A 94 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000025CD5943A50, 992 bytes long.
Data: < !”Õ\ PÚ“Õ\ > 90 21 94 D5 5C 02 00 00 50 DA 93 D5 5C 02 00 00
{90} normal block at 0x0000025CD593DB70, 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 0x0000025CD5936EF0, 16 bytes long.
Data: <ຓÕ\ > E0 BA 93 D5 5C 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000025CD593BAE0, 40 bytes long.
Data: <ðn“Õ\ pÛ“Õ\ > F0 6E 93 D5 5C 02 00 00 70 DB 93 D5 5C 02 00 00
{67} normal block at 0x0000025CD59376C0, 16 bytes long.
Data: < ê[ÿ÷ > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025CD5937210, 16 bytes long.
Data: <@é[ÿ÷ > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025CD59377B0, 16 bytes long.
Data: <øWXÿ÷ > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025CD5937760, 16 bytes long.
Data: <ØWXÿ÷ > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025CD5937A30, 16 bytes long.
Data: <P Xÿ÷ > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025CD59370D0, 16 bytes long.
Data: <0 Xÿ÷ > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025CD59373A0, 16 bytes long.
Data: <à Xÿ÷ > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025CD5936C70, 16 bytes long.
Data: < Xÿ÷ > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000025CD5937670, 16 bytes long.
Data: <p Xÿ÷ > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000025CD59371C0, 16 bytes long.
Data: < ÀVÿ÷ > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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