Task 38688345

Name test_973-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5087_0
Workunit 31629700
Created 28 Oct 2026, 13:16:10 UTC
Sent 28 Oct 2026, 13:16:13 UTC
Report deadline 2 Nov 2026, 13:16:13 UTC
Received 28 Oct 2026, 14:03:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 46 min 1 sec
CPU time 44 min 3 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 674.12 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:17:37 (15668): wrapper (7.9.26016): starting
09:17:37 (15668): 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
09:17:39 (15668): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:17:39 (15668): 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
10:03:25 (15668): C:/Windows/system32/cmd.exe exited; CPU time 2643.078125
10:03:25 (15668): 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: 37971755 bytes.
Dumping objects ->
{3835191} normal block at 0x00000266A86D7510, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x00000266AA2471E0, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x00000266AA2476C0, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x00000266AA247000, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x00000266AA247660, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x00000266A86D73C0, 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 0x00000266A86A8E90, 8 bytes long.
 Data: <  &#250;&#169;f   > 00 00 FA A9 66 02 00 00 
{3833953} normal block at 0x00000266A86A82B0, 8 bytes long.
 Data: <P&#234;x&#168;f   > 50 EA 78 A8 66 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000266A86B1D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000266A86AE150, 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 0x00000266A86B3B60, 16 bytes long.
 Data: <XOk&#168;f           > 58 4F 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000266A86B3B10, 16 bytes long.
 Data: <0Ok&#168;f           > 30 4F 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000266A86AE530, 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 0x00000266A86B3A20, 16 bytes long.
 Data: < Ok&#168;f           > 08 4F 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000266A86B3840, 16 bytes long.
 Data: <&#224;Nk&#168;f           > E0 4E 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000266A86B3750, 16 bytes long.
 Data: <&#184;Nk&#168;f           > B8 4E 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000266A86B3700, 16 bytes long.
 Data: < Nk&#168;f           > 90 4E 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000266A86AD0A0, 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 0x00000266A86B36B0, 16 bytes long.
 Data: <&#232;&#224;j&#168;f           > E8 E0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000266A86AE830, 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 0x00000266A86B2F80, 16 bytes long.
 Data: <&#192;&#224;j&#168;f           > C0 E0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000266A86B3660, 16 bytes long.
 Data: < &#224;j&#168;f           > 98 E0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000266A86B3610, 16 bytes long.
 Data: <p&#224;j&#168;f           > 70 E0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000266A86B37F0, 16 bytes long.
 Data: <H&#224;j&#168;f           > 48 E0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000266A86B3570, 16 bytes long.
 Data: < &#224;j&#168;f           > 20 E0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000266A86B3520, 16 bytes long.
 Data: <&#248;&#223;j&#168;f           > F8 DF 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000266A86AE7D0, 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 0x00000266A86B3200, 16 bytes long.
 Data: <&#208;&#223;j&#168;f           > D0 DF 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000266A86ADFD0, 320 bytes long.
 Data: < 2k&#168;f   &#208;&#231;j&#168;f   > 00 32 6B A8 66 02 00 00 D0 E7 6A A8 66 02 00 00 
{272} normal block at 0x00000266A86B2EE0, 16 bytes long.
 Data: <pNk&#168;f           > 70 4E 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000266A86B3980, 16 bytes long.
 Data: <HNk&#168;f           > 48 4E 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000266A86AF130, 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 0x00000266A86B3480, 16 bytes long.
 Data: < Nk&#168;f           > 20 4E 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000266A86AF010, 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 0x00000266A86B35C0, 16 bytes long.
 Data: <hMk&#168;f           > 68 4D 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000266A86B3390, 16 bytes long.
 Data: <@Mk&#168;f           > 40 4D 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000266A86B3340, 16 bytes long.
 Data: < Mk&#168;f           > 18 4D 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000266A86B2E90, 16 bytes long.
 Data: <&#240;Lk&#168;f           > F0 4C 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000266A86B38E0, 16 bytes long.
 Data: <&#200;Lk&#168;f           > C8 4C 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000266A86B2F30, 16 bytes long.
 Data: <&#160;Lk&#168;f           > A0 4C 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000266A86B37A0, 16 bytes long.
 Data: <0&#208;j&#168;f           > 30 D0 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000266A86AD030, 40 bytes long.
 Data: <&#160;7k&#168;f   &#192;sm&#168;f   > A0 37 6B A8 66 02 00 00 C0 73 6D A8 66 02 00 00 
{258} normal block at 0x00000266A86B30C0, 16 bytes long.
 Data: < Lk&#168;f           > 80 4C 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000266A86B3AC0, 16 bytes long.
 Data: <XLk&#168;f           > 58 4C 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000266A86AEFB0, 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 0x00000266A86B32A0, 16 bytes long.
 Data: <0Lk&#168;f           > 30 4C 6B A8 66 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000266A86B4C30, 992 bytes long.
 Data: <&#160;2k&#168;f   &#176;&#239;j&#168;f   > A0 32 6B A8 66 02 00 00 B0 EF 6A A8 66 02 00 00 
{90} normal block at 0x00000266A86AEEF0, 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 0x00000266A86A8CB0, 16 bytes long.
 Data: <&#240;&#209;j&#168;f           > F0 D1 6A A8 66 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000266A86AD1F0, 40 bytes long.
 Data: <&#176;&#140;j&#168;f   &#240;&#238;j&#168;f   > B0 8C 6A A8 66 02 00 00 F0 EE 6A A8 66 02 00 00 
{67} normal block at 0x00000266A86A80D0, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000266A86A8940, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000266A86A8DF0, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000266A86A8760, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000266A86A8710, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000266A86A8670, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000266A86A8300, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000266A86A8170, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000266A86A83F0, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000266A86A8C10, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 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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