Task 38697816

Name test_725-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9611_0
Workunit 31638368
Created 1 Nov 2026, 21:57:42 UTC
Sent 1 Nov 2026, 21:57:46 UTC
Report deadline 6 Nov 2026, 21:57:46 UTC
Received 1 Nov 2026, 22:54:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 55 min 36 sec
CPU time 49 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 644.20 MB
Peak swap size 3.84 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
22:59:50 (16732): wrapper (7.9.26016): starting
22:59:50 (16732): 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
22:59:52 (16732): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:59:52 (16732): 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\9\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\9\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: Exiting with failure status due to previous errors
23:53:35 (16732): C:/Windows/system32/cmd.exe exited; CPU time 2994.484375
23:53:35 (16732): 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: 36076501 bytes.
Dumping objects ->
{3835245} normal block at 0x0000023A26481280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000023A26481750, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000023A26481980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000023A26481830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000023A264818A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000023A2652B620, 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) : {3835157} normal block at 0x0000023A2499FE40, 8 bytes long.
 Data: <  *&:   > 00 00 2A 26 3A 02 00 00 
{3833945} normal block at 0x0000023A249A02F0, 8 bytes long.
 Data: < Yd&:   > 00 59 64 26 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023A249A06F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023A24985C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000023A249968D0, 16 bytes long.
 Data: <  &#154;$:           > 18 1D 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023A24996880, 16 bytes long.
 Data: <&#240; &#154;$:           > F0 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023A2499BF60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000023A24996830, 16 bytes long.
 Data: <&#200; &#154;$:           > C8 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023A24996010, 16 bytes long.
 Data: <&#160; &#154;$:           > A0 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023A24995D40, 16 bytes long.
 Data: <x &#154;$:           > 78 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023A249967E0, 16 bytes long.
 Data: <P &#154;$:           > 50 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023A2499ACF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000023A24996C40, 16 bytes long.
 Data: <&#216;[ $:           > D8 5B 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023A2499BF00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000023A24995F20, 16 bytes long.
 Data: <&#176;[ $:           > B0 5B 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023A24996790, 16 bytes long.
 Data: < [ $:           > 88 5B 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023A249964C0, 16 bytes long.
 Data: <`[ $:           > 60 5B 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023A249966A0, 16 bytes long.
 Data: <8[ $:           > 38 5B 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023A249A0020, 16 bytes long.
 Data: < [ $:           > 10 5B 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023A249A0520, 16 bytes long.
 Data: <&#232;Z $:           > E8 5A 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023A2499C380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000023A249A04D0, 16 bytes long.
 Data: <&#192;Z $:           > C0 5A 98 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023A24985AC0, 320 bytes long.
 Data: <&#208; &#154;$:    &#195; $:   > D0 04 9A 24 3A 02 00 00 80 C3 99 24 3A 02 00 00 
{268} normal block at 0x0000023A2499FFD0, 16 bytes long.
 Data: <0 &#154;$:           > 30 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023A249A0480, 16 bytes long.
 Data: <  &#154;$:           > 08 1C 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023A2499C800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000023A249A0430, 16 bytes long.
 Data: <&#224; &#154;$:           > E0 1B 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023A2499BDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000023A249A0250, 16 bytes long.
 Data: <( &#154;$:           > 28 1B 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023A2499FDF0, 16 bytes long.
 Data: <  &#154;$:           > 00 1B 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023A249A0110, 16 bytes long.
 Data: <&#216; &#154;$:           > D8 1A 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023A249A0200, 16 bytes long.
 Data: <&#176; &#154;$:           > B0 1A 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023A249A0390, 16 bytes long.
 Data: <  &#154;$:           > 88 1A 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023A249A02A0, 16 bytes long.
 Data: <` &#154;$:           > 60 1A 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023A2499FF30, 16 bytes long.
 Data: <&#192;&#170; $:           > C0 AA 99 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023A2499AAC0, 40 bytes long.
 Data: <0&#255; $:    &#182;R&:   > 30 FF 99 24 3A 02 00 00 20 B6 52 26 3A 02 00 00 
{254} normal block at 0x0000023A249A0070, 16 bytes long.
 Data: <@ &#154;$:           > 40 1A 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023A249A01B0, 16 bytes long.
 Data: <  &#154;$:           > 18 1A 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023A2499C8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000023A2499FF80, 16 bytes long.
 Data: <&#240; &#154;$:           > F0 19 9A 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000023A249A19F0, 992 bytes long.
 Data: < &#255; $:   &#192;&#200; $:   > 80 FF 99 24 3A 02 00 00 C0 C8 99 24 3A 02 00 00 
{86} normal block at 0x0000023A2499BD80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000023A24996330, 16 bytes long.
 Data: < &#172; $:           > 80 AC 99 24 3A 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000023A2499AC80, 40 bytes long.
 Data: <0c $:    &#189; $:   > 30 63 99 24 3A 02 00 00 80 BD 99 24 3A 02 00 00 
{63} normal block at 0x0000023A24996560, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023A24995E30, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023A24995ED0, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023A24996150, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023A24996B00, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023A249963D0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023A249962E0, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023A24996510, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023A24996B50, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023A249966F0, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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